UCSF

AKOS (make-on-demand)

Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM

Functional 10μM Targets with Highest Number of Available Compounds (465 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 78 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 44 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607 Z50607 CHEMBL378 Human immunodeficiency virus 1 26 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587 Z50587 CHEMBL372 Homo sapiens 25 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 25 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50606 Z50606 CHEMBL613497 Hepatitis B virus 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic leukemia cells) 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell leukemia) 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594 Z50594 CHEMBL375 Mus musculus 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon carcinoma cells) 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR2_HUMAN P34972 CHEMBL253 Cannabinoid CB2 receptor 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362 Z80362 CHEMBL389 P388 (Lymphoma cells) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast adenocarcinoma cells) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT6R_HUMAN P50406 CHEMBL3371 Serotonin 6 (5-HT6) receptor 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50459 Z50459 CHEMBL367 Leishmania donovani 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50677 Z50677 CHEMBL613758 Human immunodeficiency virus 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064 Z80064 CHEMBL382 CCRF-CEM (T-cell leukemia) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331 Z81331 CHEMBL612262 SW-620 (Colon adenocarcinoma cells) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR1_HUMAN P17948 CHEMBL1868 Vascular endothelial growth factor receptor 1 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular endothelial growth factor receptor 2 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR3_HUMAN P35916 CHEMBL1955 Vascular endothelial growth factor receptor 3 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426 Z50426 CHEMBL612856 Plasmodium falciparum (isolate K1 / Thailand) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512 Z50512 CHEMBL369 Cavia porcellus 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast leukemia cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081 Z100081 CHEMBL613107 PBMC (Peripheral blood mononuclear cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592 Z50592 CHEMBL374 Oryctolagus cuniculus 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50602 Z50602 CHEMBL377 Human herpesvirus 1 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50652 Z50652 CHEMBL613740 Influenza A virus 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage leukemia cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712 Z80712 CHEMBL614361 T47D (Breast carcinoma cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute leukemic T-cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_HUMAN P28222 CHEMBL1898 Serotonin 1b (5-HT1b) receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_RAT P15207 CHEMBL3072 Androgen Receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_HUMAN P09917 CHEMBL215 Arachidonate 5-lipoxygenase 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_HUMAN Q96RJ0 CHEMBL5857 Trace amine-associated receptor 1 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1_HUMAN Q8NER1 CHEMBL4794 Vanilloid receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101822 Z101822 CHEMBL613193 H3N2 subtype 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466 Z50466 CHEMBL368 Trypanosoma cruzi 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50600 Z50600 CHEMBL613493 Vaccinia virus 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50609 Z50609 CHEMBL613499 Simian immunodeficiency virus 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295 Z80295 CHEMBL388 MT4 (Lymphocytes) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical vein endothelial cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335 Z81335 CHEMBL612263 HCT-15 (Colon adenocarcinoma cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CLTR1_HUMAN Q9Y271 CHEMBL1798 Cysteinyl leukotriene receptor 1 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_RAT P12527 CHEMBL312 Arachidonate 5-lipoxygenase 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101821 Z101821 CHEMBL612765 H2N2 subtype 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50142 Z50142 CHEMBL612610 Influenza A virus (A/PR/8/34(H1N1)) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422 Z50422 CHEMBL612853 Entamoeba histolytica 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468 Z50468 CHEMBL612652 Giardia intestinalis 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125 Z80125 CHEMBL613508 DU-145 (Prostate carcinoma) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80387 Z80387 CHEMBL612556 PC-12 (Adrenal phaeochromacytoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81138 Z81138 CHEMBL613872 ScN2a (Scrapie-infected neuroblastoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_HUMAN P28221 CHEMBL1983 Serotonin 1d (5-HT1d) receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_HUMAN P41595 CHEMBL1833 Serotonin 2b (5-HT2b) receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_HUMAN P46098 CHEMBL1899 Serotonin 3a (5-HT3a) receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_CAVPO Q8K4Z4 CHEMBL5414 Beta-2 adrenergic receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_HUMAN P07550 CHEMBL210 Beta-2 adrenergic receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_HUMAN P21554 CHEMBL218 Cannabinoid CB1 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_HUMAN Q92731 CHEMBL242 Estrogen receptor beta 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_RAT P31424 CHEMBL2564 Metabotropic glutamate receptor 5 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR1_HUMAN P08183 CHEMBL4302 P-glycoprotein 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR1_MOUSE P06795 CHEMBL3467 P-glycoprotein 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100492 Z100492 CHEMBL613878 MCF10 (Normal breast epithelial cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50590 Z50590 CHEMBL613488 Sus scrofa 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50658 Z50658 CHEMBL380 Human immunodeficiency virus 2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80054 Z80054 CHEMBL614058 Caco-2 (Colon adenocarcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80066 Z80066 CHEMBL614540 CCRF-CEM/VCR-1000 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136 Z80136 CHEMBL614297 FM3A (Breast carcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164 Z80164 CHEMBL614580 HT-1080 (Fibrosarcoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80285 Z80285 CHEMBL614177 MOLT-4 (Acute T-lymphoblastic leukemia cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80354 Z80354 CHEMBL614213 OVCAR-3 (Ovarian adenocarcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80526 Z80526 CHEMBL612544 SW480 (Colon adenocarcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80936 Z80936 CHEMBL614818 HEK293 (Embryonic kidney fibroblasts) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024 Z81024 CHEMBL396 NCI-H460 (Non-small cell lung carcinoma) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_RAT P08482 CHEMBL276 Muscarinic acetylcholine receptor M1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_HUMAN P10275 CHEMBL1871 Androgen Receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_MOUSE P19091 CHEMBL3056 Androgen Receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CLTR2_HUMAN Q9NS75 CHEMBL4330 Cysteinyl leukotriene receptor 2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1_HUMAN P03372 CHEMBL206 Estrogen receptor alpha 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_RAT P35439 CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_RAT Q63921 CHEMBL4042 Cyclooxygenase-1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_RAT P35355 CHEMBL2977 Cyclooxygenase-2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_MOUSE P37238 CHEMBL2459 Peroxisome proliferator-activated receptor gamma 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q862F3_BOVIN Q862F3 CHEMBL4262 Tubulin alpha chain 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin transporter 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB2B_BOVIN Q6B856 CHEMBL3394 Tubulin beta chain 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103205 Z103205 CHEMBL1075390 A431 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50212 Z50212 CHEMBL354 Escherichia coli 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50362 Z50362 CHEMBL613075 Lactobacillus casei 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418 Z50418 CHEMBL612849 Trypanosoma brucei 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50523 Z50523 CHEMBL613129 Influenza B virus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50530 Z50530 CHEMBL371 Human herpesvirus 5 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076 Z80076 CHEMBL614548 CEM-SS (T-cell leukemia) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80120 Z80120 CHEMBL614285 DLD-1 (Colon adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80171 Z80171 CHEMBL614582 HuTu80 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80192 Z80192 CHEMBL614709 KM12 (Colon adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80244 Z80244 CHEMBL614335 MDA-MB-468 (Breast adenocarcinoma) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80356 Z80356 CHEMBL614214 OVCAR-5 (Ovarian adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80409 Z80409 CHEMBL614385 R2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414 Z80414 CHEMBL614628 Raji (B-lymphoblastic cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80427 Z80427 CHEMBL614879 RKO (Colon carcinoma) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80457 Z80457 CHEMBL614901 SCC-25 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80459 Z80459 CHEMBL614147 SCC-7 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80475 Z80475 CHEMBL613834 SK-BR-3 (Breast adenocarcinoma) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80532 Z80532 CHEMBL614774 T-24 (Bladder carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80566 Z80566 CHEMBL612794 U-937 (Histiocytic lymphoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80711 Z80711 CHEMBL613829 NCI/ADR-RES (Breast carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80830 Z80830 CHEMBL614641 Ehrlich (Ehrlich ascites carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80847 Z80847 CHEMBL612250 FaDu (Pharyngeal carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81017 Z81017 CHEMBL614647 WiDr (Colon adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_RAT P14842 CHEMBL322 Serotonin 2a (5-HT2a) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_HUMAN O95264 CHEMBL3895 Serotonin 3b (5-HT3b) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT4R_HUMAN Q13639 CHEMBL1875 Serotonin 4 (5-HT4) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_HUMAN P29274 CHEMBL251 Adenosine A2a receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_HUMAN P36544 CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_HUMAN P11229 CHEMBL216 Muscarinic acetylcholine receptor M1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_RAT P08485 CHEMBL317 Muscarinic acetylcholine receptor M4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1C_RAT P22002 CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1D_RAT P27732 CHEMBL4132 Voltage-gated L-type calcium channel alpha-1D subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR1_HUMAN P25024 CHEMBL4029 Interleukin-8 receptor A 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR2_HUMAN P25025 CHEMBL2434 Interleukin-8 receptor B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRTS_PLAFK P13922 CHEMBL1939 Dihydrofolate reductase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR_LACCA P00381 CHEMBL2902 Dihydrofolate reductase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB2_HUMAN P04626 CHEMBL1824 Receptor protein-tyrosine kinase erbB-2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR1_HUMAN P11474 CHEMBL3429 Estrogen-related receptor alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
FFAR2_HUMAN O15552 CHEMBL5493 Free fatty acid receptor 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_HUMAN P41594 CHEMBL3227 Metabotropic glutamate receptor 5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_MOUSE Q9EP66 CHEMBL4420 HM74 nicotinic acid GPCR 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH2_HUMAN P25021 CHEMBL1941 Histamine H2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HS90A_HUMAN P07900 CHEMBL3880 Heat shock protein HSP 90-alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HS90B_HUMAN P08238 CHEMBL4303 Heat shock protein HSP 90-beta 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HXK4_RAT P17712 CHEMBL3882 Hexokinase type IV 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIF11_HUMAN P52732 CHEMBL4581 Kinesin-like protein 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR3_MOUSE P21447 CHEMBL2573 P-glycoprotein 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE3_RAT Q00961 CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE4_RAT Q62645 CHEMBL303 Glutamate [NMDA] receptor subunit epsilon 4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NPY2R_HUMAN P49146 CHEMBL4018 Neuropeptide Y receptor type 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1I2_HUMAN O75469 CHEMBL3401 Pregnane X receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
OX2R_HUMAN O43614 CHEMBL4792 Orexin receptor 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE3A_HUMAN Q14432 CHEMBL241 Phosphodiesterase 3A 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE3B_HUMAN Q13370 CHEMBL290 Phosphodiesterase 3B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_MOUSE P22437 CHEMBL2649 Cyclooxygenase-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_MOUSE Q05769 CHEMBL4321 Cyclooxygenase-2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTAFR_HUMAN P25105 CHEMBL250 Platelet activating factor receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72547_9HIV1 Q72547 CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A11_RAT P31647 CHEMBL3598 GABA transporter 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A12_RAT P48056 CHEMBL5248 Betaine transporter 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A13_RAT P31646 CHEMBL4889 GABA transporter 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A1_RAT P23978 CHEMBL4054 GABA transporter 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
THAS_HUMAN P24557 CHEMBL1835 Thromboxane-A synthase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TNR1A_HUMAN P19438 CHEMBL3378 Tumor necrosis factor receptor R1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1_HUMAN O75762 CHEMBL6007 Transient receptor potential cation channel subfamily A member 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1_RAT Q6RI86 CHEMBL5160 Transient receptor potential cation channel subfamily A member 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100811 Z100811 CHEMBL613845 Influenza A virus (H5N1) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101849 Z101849 CHEMBL613205 Human papillomavirus type 16 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102306 Z102306 CHEMBL613606 Aorta 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103204 Z103204 CHEMBL1075389 A427 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50038 Z50038 CHEMBL612328 Plasmodium yoelii yoelii 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50185 Z50185 CHEMBL352 Staphylococcus aureus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50266 Z50266 CHEMBL357 Enterococcus faecium 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380 Z50380 CHEMBL613088 Mycobacterium smegmatis 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50442 Z50442 CHEMBL366 Candida albicans 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50460 Z50460 CHEMBL612879 Leishmania major 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50472 Z50472 CHEMBL612888 Toxoplasma gondii 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50515 Z50515 CHEMBL370 Human herpesvirus 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50518 Z50518 CHEMBL613124 Human herpesvirus 4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50527 Z50527 CHEMBL613132 Human herpesvirus 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588 Z50588 CHEMBL373 Canis familiaris 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50599 Z50599 CHEMBL612672 Cowpox virus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50617 Z50617 CHEMBL613554 Human coxsackievirus B3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80001 Z80001 CHEMBL614508 143B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80008 Z80008 CHEMBL612565 5637 (Epithelial bladder carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80025 Z80025 CHEMBL614519 ACHN (Renal adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80026 Z80026 CHEMBL613860 AGS (Gastric adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035 Z80035 CHEMBL381 B16 (Melanoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80052 Z80052 CHEMBL614533 C8166 (Leukemic T-cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80063 Z80063 CHEMBL614027 CCRF S-180 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80099 Z80099 CHEMBL614561 COLO 205 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80112 Z80112 CHEMBL614033 DAN-G 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80132 Z80132 CHEMBL614293 EL4 (Thymoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80214 Z80214 CHEMBL614317 M14 (Melanoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80227 Z80227 CHEMBL614324 MCF7-ADR (Breast carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80249 Z80249 CHEMBL614068 MDCK (Kidney cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291 Z80291 CHEMBL614181 MRC5 (Embryonic lung fibroblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80334 Z80334 CHEMBL613828 NG108-15 (Neuroblastoma-glioma hybrid cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80357 Z80357 CHEMBL612555 OVCAR-8 (Ovarian adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80407 Z80407 CHEMBL614383 R1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80408 Z80408 CHEMBL614384 R1-CCRF-CEM (Lymphoblastic leukemia) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80410 Z80410 CHEMBL613523 R2-CCRF-CEM (Lymphoblastic leukemia) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80411 Z80411 CHEMBL614143 R30dm-CCRF-CEM (Lymphoblastic leukemia) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80419 Z80419 CHEMBL614772 RBL-1 (Basophilic leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80433 Z80433 CHEMBL614882 RPMI-8226 (Multiple myeloma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80437 Z80437 CHEMBL614885 RWLeu4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80443 Z80443 CHEMBL612567 S180 (Sarcoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80453 Z80453 CHEMBL614897 SC-3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80455 Z80455 CHEMBL614899 SCC-15 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80468 Z80468 CHEMBL614908 SF-295 (Glioblastoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80488 Z80488 CHEMBL614922 SK-MEL-5 (Melanoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80560 Z80560 CHEMBL615022 U-251 (Glioma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80563 Z80563 CHEMBL615025 U-373 MG ( Glioblastoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80565 Z80565 CHEMBL614247 U-87 MG (Glioblastoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80568 Z80568 CHEMBL612796 UACC-257 (Melanoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80570 Z80570 CHEMBL614610 UACC-62 (Melanoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80575 Z80575 CHEMBL614388 UO-31 (Renal carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80578 Z80578 CHEMBL612800 UV4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80608 Z80608 CHEMBL614393 ZR-75-1 (Breast carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80640 Z80640 CHEMBL613102 786-0 (Renal carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80641 Z80641 CHEMBL614254 791T cell line 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80657 Z80657 CHEMBL614255 A253 cell line 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80667 Z80667 CHEMBL614262 AA8 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80724 Z80724 CHEMBL614705 C170 cell line 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80742 Z80742 CHEMBL614657 C6 (Glioma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80752 Z80752 CHEMBL614380 carcinoma cell line 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80772 Z80772 CHEMBL614781 BV-2 (Microglial cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80789 Z80789 CHEMBL614463 Colon 38 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80815 Z80815 CHEMBL612247 D54 cell line 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80852 Z80852 CHEMBL614069 A-431 (Epidermoid carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80890 Z80890 CHEMBL614160 H350.3 (MTX-resistant Reuber hepatoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80893 Z80893 CHEMBL614784 H35 (Reuber hepatoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80920 Z80920 CHEMBL613855 HCC 2998 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80942 Z80942 CHEMBL613888 HEL (Embryonic lung cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80945 Z80945 CHEMBL614735 HEp-2 (Laryngeal carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034 Z81034 CHEMBL614004 A2780 (Ovarian carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81054 Z81054 CHEMBL613977 SF-268 (Glioblastoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81065 Z81065 CHEMBL613984 IGROV-1 (Ovarian adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135 Z81135 CHEMBL614793 L6 (Skeletal muscle myoblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81184 Z81184 CHEMBL614096 LOX IMVI (Melanoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81245 Z81245 CHEMBL614697 MDA-MB-435 (Breast carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81281 Z81281 CHEMBL614997 NCI-H23 (Non-small cell lung carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81283 Z81283 CHEMBL614387 NCI-H522 (Non-small cell lung carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81322 Z81322 CHEMBL614860 SF-539 (Glioblastoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81325 Z81325 CHEMBL614300 SR (Leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_HUMAN P08908 CHEMBL214 Serotonin 1a (5-HT1a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_RAT P19327 CHEMBL273 Serotonin 1a (5-HT1a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1F_HUMAN P30939 CHEMBL1805 Serotonin 1f (5-HT1f) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_RAT P30994 CHEMBL323 Serotonin 2b (5-HT2b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_RAT P08909 CHEMBL324 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_MOUSE P23979 CHEMBL4972 Serotonin 3a (5-HT3a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3C_HUMAN Q8WXA8 CHEMBL4795 Serotonin 3c (5-HT3c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3D_HUMAN Q70Z44 CHEMBL4673 Serotonin 3d (5-HT3d) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3E_HUMAN A5X5Y0 CHEMBL3812 Serotonin 3e (5-HT3e) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT4R_RAT Q62758 CHEMBL4317 Serotonin 4 (5-HT4) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT7R_HUMAN P34969 CHEMBL3155 Serotonin 7 (5-HT7) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3_HUMAN P32297 CHEMBL3068 Neuronal acetylcholine receptor protein alpha-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA4_HUMAN P43681 CHEMBL1882 Neuronal acetylcholine receptor protein alpha-4 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA_HUMAN P02708 CHEMBL4808 Acetylcholine receptor protein alpha chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_HUMAN P08172 CHEMBL211 Muscarinic acetylcholine receptor M2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_HUMAN P08173 CHEMBL1821 Muscarinic acetylcholine receptor M4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_RABIT O02824 CHEMBL3637 Alpha-1a adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_RABIT O02666 CHEMBL4407 Alpha-1d adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_RAT P23944 CHEMBL326 Alpha-1d adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_HUMAN P18089 CHEMBL1942 Alpha-2b adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_RAT P18090 CHEMBL3252 Beta-1 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_RAT P10608 CHEMBL3754 Beta-2 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3_HUMAN P13945 CHEMBL246 Beta-3 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3_RAT P26255 CHEMBL4031 Beta-3 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_HUMAN P15121 CHEMBL1900 Aldose reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BRS3_HUMAN P32247 CHEMBL4080 Bombesin like receptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CA2D1_RAT P54290 CHEMBL3420 Voltage-gated calcium channel alpha2/delta subunit 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1C_HUMAN Q13936 CHEMBL1940 Voltage-gated L-type calcium channel alpha-1C subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1D_HUMAN Q01668 CHEMBL4138 Voltage-gated L-type calcium channel alpha-1D subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCR4_HUMAN P51679 CHEMBL2414 C-C chemokine receptor type 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR2_RAT Q9QZN9 CHEMBL2470 Cannabinoid CB2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR3_HUMAN P49682 CHEMBL4441 C-X-C chemokine receptor type 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR4_HUMAN P61073 CHEMBL2107 C-X-C chemokine receptor type 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_RAT P30729 CHEMBL3361 Dopamine D4 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRA_HUMAN P25101 CHEMBL252 Endothelin receptor ET-A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRB_HUMAN P24530 CHEMBL1785 Endothelin receptor ET-B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB4_HUMAN Q15303 CHEMBL3009 Receptor protein-tyrosine kinase erbB-4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_HUMAN P14867 CHEMBL1962 GABA receptor alpha-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2_HUMAN P47869 CHEMBL4956 GABA receptor alpha-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3_HUMAN P34903 CHEMBL3026 GABA receptor alpha-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4_HUMAN P48169 CHEMBL2472 GABA receptor alpha-4 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA5_HUMAN P31644 CHEMBL5112 GABA receptor alpha-5 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA6_HUMAN Q16445 CHEMBL2579 GABA receptor alpha-6 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GCR_HUMAN P04150 CHEMBL2034 Glucocorticoid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_RAT P19490 CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM1_HUMAN Q13255 CHEMBL3772 Metabotropic glutamate receptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_MOUSE Q3UVX5 CHEMBL1641352 Metabotropic glutamate receptor 5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM7_RAT P35400 CHEMBL3879 Metabotropic glutamate receptor 7 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GYRA_ECOLI P0AES4 CHEMBL1858 DNA gyrase subunit A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GYRB_ECOLI P0AES6 CHEMBL1826 DNA gyrase subunit B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_RAT Q80Z39 CHEMBL4731 HM74 nicotinic acid GPCR 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HMDH_HUMAN P04035 CHEMBL402 HMG-CoA reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ICAM1_HUMAN P05362 CHEMBL3070 Intercellular adhesion molecule-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITAL_HUMAN P20701 CHEMBL1803 Leukocyte adhesion glycoprotein LFA-1 alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNQ2_MOUSE Q9Z351 CHEMBL2985 Voltage-gated potassium channel subunit Kv7.2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MCR_HUMAN P08235 CHEMBL1994 Mineralocorticoid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK11_HUMAN Q15759 CHEMBL3961 MAP kinase p38 beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK12_HUMAN P53778 CHEMBL4674 MAP kinase p38 gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK13_HUMAN O15264 CHEMBL2939 MAP kinase p38 delta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_HUMAN Q16539 CHEMBL260 MAP kinase p38 alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1A_HUMAN P48039 CHEMBL1945 Melatonin receptor 1A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1B_HUMAN P49286 CHEMBL1946 Melatonin receptor 1B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NK3R_HUMAN P29371 CHEMBL4429 Neurokinin 3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE2_RAT Q00960 CHEMBL311 Glutamate [NMDA] receptor subunit epsilon 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1_RAT P29476 CHEMBL3048 Nitric-oxide synthase, brain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS2_MOUSE P29477 CHEMBL3464 Nitric oxide synthase, inducible 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS3_HUMAN P29474 CHEMBL4803 Nitric-oxide synthase, endothelial 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1H4_HUMAN Q96RI1 CHEMBL2047 Bile acid receptor FXR 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OXYR_HUMAN P30559 CHEMBL2049 Oxytocin receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX7_HUMAN Q99572 CHEMBL4805 P2X purinoceptor 7 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX7_RAT Q64663 CHEMBL2496 P2X purinoceptor 7 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y12_HUMAN Q9H244 CHEMBL2001 Purinergic receptor P2Y12 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P97706_RAT P97706 CHEMBL4957 Sodium channel protein type VI alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARC_ECOLI P0AFI2 CHEMBL1895 Topoisomerase IV subunit A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PARC_STAAU P0C1U9 CHEMBL4088 Topoisomerase IV subunit A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE1B_RAT Q01066 CHEMBL3665 Phosphodiesterase 1B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB_RAT Q05030 CHEMBL4125 Platelet-derived growth factor receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_HUMAN Q07869 CHEMBL239 Peroxisome proliferator-activated receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_HUMAN P37231 CHEMBL235 Peroxisome proliferator-activated receptor gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR_HUMAN P06401 CHEMBL208 Progesterone receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q862L2_BOVIN Q862L2 CHEMBL3752 Tubulin alpha-1 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4_RAT Q9WTR4 CHEMBL304 Norepinephrine transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_RAT P23977 CHEMBL338 Dopamine transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_HUMAN P31645 CHEMBL228 Serotonin transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN1B_HUMAN Q07699 CHEMBL5487 Sodium channel beta-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN2B_HUMAN O60939 CHEMBL5446 Sodium channel beta-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN3B_HUMAN Q9NY72 CHEMBL5488 Sodium channel beta-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN4A_HUMAN P35499 CHEMBL2072 Sodium channel protein type IV alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN4B_HUMAN Q8IWT1 CHEMBL4689 Sodium channel beta-4 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN5A_HUMAN Q14524 CHEMBL1980 Sodium channel protein type V alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN5A_RAT P15389 CHEMBL3866 Sodium channel protein type V alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN7A_HUMAN Q01118 CHEMBL3585 Sodium channel protein type VII alpha subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SMO_HUMAN Q99835 CHEMBL5971 Smoothened homolog 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_MOUSE Q923Y8 CHEMBL4908 Trace amine-associated receptor1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_RAT Q923Y9 CHEMBL3833 Trace amine-associated receptor1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBA1A_RAT P68370 CHEMBL4139 Tubulin alpha-1 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB1_HUMAN Q9H4B7 CHEMBL1915 Tubulin beta-1 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1_MOUSE Q8BLA8 CHEMBL1075310 Transient receptor potential cation channel subfamily A member 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1_RAT O35433 CHEMBL5102 Vanilloid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
VDR_HUMAN P11473 CHEMBL1977 Vitamin D receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100515 Z100515 CHEMBL612595 HPAC (Pancreatic adenocarcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100695 Z100695 CHEMBL612587 WRL68 (Embryonic hepatoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100715 Z100715 CHEMBL613822 Nippostrongylus brasiliensis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100731 Z100731 CHEMBL613842 Bcap37 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100733 Z100733 CHEMBL613866 CT26 (Colon carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101697 Z101697 CHEMBL613332 Camelpox virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101794 Z101794 CHEMBL612743 Felid herpesvirus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101829 Z101829 CHEMBL612769 HBV genotype D 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101848 Z101848 CHEMBL612780 Human herpesvirus 8 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101973 Z101973 CHEMBL613240 Paracentrotus lividus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102020 Z102020 CHEMBL613016 Porcine endogenous retrovirus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102080 Z102080 CHEMBL613316 Simplexvirus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102131 Z102131 CHEMBL613167 Vaccinia virus Copenhagen 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102178 Z102178 CHEMBL613694 Liver microsomes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102213 Z102213 CHEMBL613416 Blood 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102333 Z102333 CHEMBL613633 Ileum 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102380 Z102380 CHEMBL613680 Ileum 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103176 Z103176 CHEMBL1075346 Entamoeba invadens 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103203 Z103203 CHEMBL1075388 A375 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103348 Z103348 CHEMBL1075533 NCI-H2122 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103419 Z103419 CHEMBL1075604 UACC-812 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104297 Z104297 CHEMBL1907603 Glutamate NMDA receptor; GRIN1/GRIN2B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104298 Z104298 CHEMBL1907604 Glutamate NMDA receptor; GRIN1/GRIN2A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50028 Z50028 CHEMBL347 Streptococcus pneumoniae 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50085 Z50085 CHEMBL612470 Human rhinovirus sp. 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50117 Z50117 CHEMBL348 Pseudomonas aeruginosa 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50378 Z50378 CHEMBL612640 Mycobacterium intracellulare 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50420 Z50420 CHEMBL612851 Trypanosoma brucei brucei 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50461 Z50461 CHEMBL612880 Leishmania mexicana 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50467 Z50467 CHEMBL612884 Trichomonas vaginalis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50517 Z50517 CHEMBL613123 Human herpesvirus 5 strain AD169 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50604 Z50604 CHEMBL613495 Murid herpesvirus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50624 Z50624 CHEMBL613715 Human adenovirus type 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643 Z50643 CHEMBL379 Hepatitis C virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50650 Z50650 CHEMBL613738 Measles virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50651 Z50651 CHEMBL613739 Vesicular stomatitis virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50664 Z50664 CHEMBL613748 Rauscher murine leukemia virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50681 Z50681 CHEMBL613761 Duck hepatitis B virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50725 Z50725 CHEMBL612348 Trypanosoma brucei rhodesiense 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50737 Z50737 CHEMBL612359 Human immunodeficiency virus 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50755 Z50755 CHEMBL612370 Anas sp. 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80002 Z80002 CHEMBL614075 1A9 (Ovarian adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80005 Z80005 CHEMBL614077 3T3 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80036 Z80036 CHEMBL614524 BaF3 (IL-3-dependent pro-B-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80037 Z80037 CHEMBL614065 Balb/MK 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80071 Z80071 CHEMBL614028 CEM-0 (T-cell leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80073 Z80073 CHEMBL614545 CEM-c113 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80079 Z80079 CHEMBL614549 CEM-V 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80088 Z80088 CHEMBL613853 CHO (Ovarian cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80101 Z80101 CHEMBL614562 COLO 320DM (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80110 Z80110 CHEMBL613507 CV-1 (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80119 Z80119 CHEMBL614059 Detroit 98 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80121 Z80121 CHEMBL614286 DMS-79 (Small cell lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80133 Z80133 CHEMBL614294 EMT6 (Mammary carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80208 Z80208 CHEMBL614720 L5178Y (Lymphoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80211 Z80211 CHEMBL614721 LoVo (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80232 Z80232 CHEMBL614128 MCF7-VP 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80243 Z80243 CHEMBL614334 MDA-MB-453 (Breast adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80268 Z80268 CHEMBL614353 MKN-28 (Gastric epithelial carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80269 Z80269 CHEMBL614354 MKN-45 (Gastric adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80284 Z80284 CHEMBL614176 MOLT-3 (T-lymphoblastic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80294 Z80294 CHEMBL614184 MT2 (Lymphocytes) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80322 Z80322 CHEMBL614135 NCI-H358 (Lung carcinama cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80335 Z80335 CHEMBL614200 NHDF 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80347 Z80347 CHEMBL614208 NUGC-3 (Gastric carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80364 Z80364 CHEMBL614218 P388/ADR (Lymphoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80384 Z80384 CHEMBL614233 PBL (Peripheral blood lymphocytes) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80472 Z80472 CHEMBL612542 SiHa (Cervical squamous cell carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80485 Z80485 CHEMBL614919 SK-MEL-28 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80490 Z80490 CHEMBL614923 SK-MES-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80492 Z80492 CHEMBL614924 SK-N-SH (Neuroblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80516 Z80516 CHEMBL614940 SUP-T1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80525 Z80525 CHEMBL614055 SW48 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548 Z80548 CHEMBL614245 THP-1 (Acute monocytic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80561 Z80561 CHEMBL615023 U2OS (Osteosarcoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80653 Z80653 CHEMBL613105 9L (Glioma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80683 Z80683 CHEMBL614272 ATH8 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80686 Z80686 CHEMBL614274 AZ-521 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80688 Z80688 CHEMBL614797 B(EBV+) cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80691 Z80691 CHEMBL613535 BC cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80697 Z80697 CHEMBL614279 Bel-7402 (Hepatoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80709 Z80709 CHEMBL614359 Osteoclast-like (Bone marrow cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80721 Z80721 CHEMBL614366 BxT cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80737 Z80737 CHEMBL614372 C3H/3T3 (Embryonic fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80760 Z80760 CHEMBL614779 CFU-GM cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80773 Z80773 CHEMBL614456 CHRC/5 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80774 Z80774 CHEMBL614457 CHRC5 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80819 Z80819 CHEMBL614484 J774.2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80866 Z80866 CHEMBL612707 GLC4 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80897 Z80897 CHEMBL614806 H9 (T-lymphoid cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80947 Z80947 CHEMBL614820 Hepatoblastoma cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80949 Z80949 CHEMBL614821 Hepatoma cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80951 Z80951 CHEMBL614822 NIH3T3 (Fibroblasts) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80952 Z80952 CHEMBL614662 HES 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80963 Z80963 CHEMBL614808 HNO 97 cell lines 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81008 Z81008 CHEMBL614788 Human breast cancer cell lines 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81041 Z81041 CHEMBL612424 Prostatic carcinoma cells 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81043 Z81043 CHEMBL613969 N592 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81047 Z81047 CHEMBL614685 Human T-cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81048 Z81048 CHEMBL613973 TSU (Prostatic carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81068 Z81068 CHEMBL614649 Ishikawa (Uterine carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81117 Z81117 CHEMBL613995 Keratinocytes (Keratinocytes) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81121 Z81121 CHEMBL613996 KKLS cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81131 Z81131 CHEMBL612266 L cells (Fibroblasts) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170 Z81170 CHEMBL612518 LNCaP (Prostate carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81223 Z81223 CHEMBL614115 M cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81244 Z81244 CHEMBL614123 J774 (Macrophage cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81261 Z81261 CHEMBL614127 UACC-375 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81298 Z81298 CHEMBL614846 PE cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81330 Z81330 CHEMBL614304 SNU- 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81338 Z81338 CHEMBL614309 T-cells 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81341 Z81341 CHEMBL614310 Tumor cell lines 1 Annotations Catalogs SMILES SDF Mol2 Flexibase