UCSF

TimTec

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

Functional 10μM Targets with Highest Number of Available Compounds (624 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 203 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607 Z50607 CHEMBL378 Human immunodeficiency virus 1 103 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 79 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 56 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 41 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426 Z50426 CHEMBL612856 Plasmodium falciparum (isolate K1 / Thailand) 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712 Z80712 CHEMBL614361 T47D (Breast carcinoma cells) 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast leukemia cells) 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic leukemia cells) 26 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512 Z50512 CHEMBL369 Cavia porcellus 25 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon carcinoma cells) 25 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 24 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 23 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422 Z50422 CHEMBL612853 Entamoeba histolytica 22 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage leukemia cells) 22 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587 Z50587 CHEMBL372 Homo sapiens 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
OX2R_HUMAN O43614 CHEMBL4792 Orexin receptor 2 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast adenocarcinoma cells) 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1_HUMAN O75762 CHEMBL6007 Transient receptor potential cation channel subfamily A member 1 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50459 Z50459 CHEMBL367 Leishmania donovani 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594 Z50594 CHEMBL375 Mus musculus 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute leukemic T-cells) 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_HUMAN Q96RJ0 CHEMBL5857 Trace amine-associated receptor 1 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466 Z50466 CHEMBL368 Trypanosoma cruzi 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468 Z50468 CHEMBL612652 Giardia intestinalis 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81138 Z81138 CHEMBL613872 ScN2a (Scrapie-infected neuroblastoma cells) 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_HUMAN P41595 CHEMBL1833 Serotonin 2b (5-HT2b) receptor 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_HUMAN P37231 CHEMBL235 Peroxisome proliferator-activated receptor gamma 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362 Z80362 CHEMBL389 P388 (Lymphoma cells) 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM1_RAT P23385 CHEMBL4477 Metabotropic glutamate receptor 1 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592 Z50592 CHEMBL374 Oryctolagus cuniculus 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80120 Z80120 CHEMBL614285 DLD-1 (Colon adenocarcinoma cells) 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell leukemia) 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100405 Z100405 CHEMBL613835 MV4-11 (Myeloid leukemia cells) 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035 Z80035 CHEMBL381 B16 (Melanoma cells) 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma cells) 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331 Z81331 CHEMBL612262 SW-620 (Colon adenocarcinoma cells) 13 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_HUMAN P10275 CHEMBL1871 Androgen Receptor 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034 Z81034 CHEMBL614004 A2780 (Ovarian carcinoma cells) 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid receptor 1 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
OX1R_HUMAN O43613 CHEMBL5113 Orexin receptor 1 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1_HUMAN Q8NER1 CHEMBL4794 Vanilloid receptor 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50600 Z50600 CHEMBL613493 Vaccinia virus 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical vein endothelial cells) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR1_HUMAN P08183 CHEMBL4302 P-glycoprotein 1 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418 Z50418 CHEMBL612849 Trypanosoma brucei 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50442 Z50442 CHEMBL366 Candida albicans 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50457 Z50457 CHEMBL612877 Leishmania amazonensis 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80877 Z80877 CHEMBL612255 NCI-H1299 (Non-small cell lung carcinoma) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80951 Z80951 CHEMBL614822 NIH3T3 (Fibroblasts) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380 Z50380 CHEMBL613088 Mycobacterium smegmatis 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50417 Z50417 CHEMBL612848 Leishmania infantum 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50725 Z50725 CHEMBL612348 Trypanosoma brucei rhodesiense 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80491 Z80491 CHEMBL614163 SK-N-MC (Neuroepithelioma cells) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_CAVPO Q8K4Z4 CHEMBL5414 Beta-2 adrenergic receptor 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_HUMAN Q92731 CHEMBL242 Estrogen receptor beta 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_HUMAN P41594 CHEMBL3227 Metabotropic glutamate receptor 5 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_RAT P31424 CHEMBL2564 Metabotropic glutamate receptor 5 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_HUMAN Q9Y5N1 CHEMBL264 Histamine H3 receptor 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR1_MOUSE P06795 CHEMBL3467 P-glycoprotein 1 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
PE2R3_HUMAN P43115 CHEMBL3710 Prostanoid EP3 receptor 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB1_HUMAN Q9H4B7 CHEMBL1915 Tubulin beta-1 chain 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125 Z80125 CHEMBL613508 DU-145 (Prostate carcinoma) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B_HUMAN P28222 CHEMBL1898 Serotonin 1b (5-HT1b) receptor 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_RAT P31652 CHEMBL313 Serotonin transporter 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBA1A_RAT P68370 CHEMBL4139 Tubulin alpha-1 chain 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1_RAT Q6RI86 CHEMBL5160 Transient receptor potential cation channel subfamily A member 1 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80936 Z80936 CHEMBL614818 HEK293 (Embryonic kidney fibroblasts) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_HUMAN P11229 CHEMBL216 Muscarinic acetylcholine receptor M1 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_HUMAN P35348 CHEMBL229 Alpha-1a adrenergic receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ECR_AEDAE P49880 CHEMBL3413 Ecdysone receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1_HUMAN P03372 CHEMBL206 Estrogen receptor alpha 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_RAT P19490 CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3_RAT P19492 CHEMBL3504 Glutamate receptor ionotropic, AMPA 3 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
OXYR_HUMAN P30559 CHEMBL2049 Oxytocin receptor 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4_RAT Q9WTR4 CHEMBL304 Norepinephrine transporter 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103204 Z103204 CHEMBL1075389 A427 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50038 Z50038 CHEMBL612328 Plasmodium yoelii yoelii 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50212 Z50212 CHEMBL354 Escherichia coli 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50460 Z50460 CHEMBL612879 Leishmania major 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80008 Z80008 CHEMBL612565 5637 (Epithelial bladder carcinoma cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064 Z80064 CHEMBL382 CCRF-CEM (T-cell leukemia) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80526 Z80526 CHEMBL612544 SW480 (Colon adenocarcinoma cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024 Z81024 CHEMBL396 NCI-H460 (Non-small cell lung carcinoma) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_HUMAN P29275 CHEMBL255 Adenosine A2b receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_HUMAN P20309 CHEMBL245 Muscarinic acetylcholine receptor M3 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM5_HUMAN P08912 CHEMBL2035 Muscarinic acetylcholine receptor M5 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A_RABIT O02824 CHEMBL3637 Alpha-1a adrenergic receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_RABIT O02666 CHEMBL4407 Alpha-1d adrenergic receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_HUMAN P07550 CHEMBL210 Beta-2 adrenergic receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_RAT P10608 CHEMBL3754 Beta-2 adrenergic receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3_HUMAN P13945 CHEMBL246 Beta-3 adrenergic receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1D_RAT P27732 CHEMBL4132 Voltage-gated L-type calcium channel alpha-1D subunit 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
FFAR1_HUMAN O14842 CHEMBL4422 Free fatty acid receptor 1 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2_RAT P19491 CHEMBL3503 Glutamate receptor ionotropic, AMPA 2 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA4_RAT P19493 CHEMBL3505 Glutamate receptor ionotropic, AMPA 4 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH2_HUMAN P25021 CHEMBL1941 Histamine H2 receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1H4_HUMAN Q96RI1 CHEMBL2047 Bile acid receptor FXR 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1_RAT O35433 CHEMBL5102 Vanilloid receptor 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50136 Z50136 CHEMBL612608 Plasmodium falciparum (isolate FcB1 / Columbia) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50185 Z50185 CHEMBL352 Staphylococcus aureus 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50467 Z50467 CHEMBL612884 Trichomonas vaginalis 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50473 Z50473 CHEMBL612653 Plasmodium berghei 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50602 Z50602 CHEMBL377 Human herpesvirus 1 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50609 Z50609 CHEMBL613499 Simian immunodeficiency virus 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643 Z50643 CHEMBL379 Hepatitis C virus 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076 Z80076 CHEMBL614548 CEM-SS (T-cell leukemia) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80088 Z80088 CHEMBL613853 CHO (Ovarian cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136 Z80136 CHEMBL614297 FM3A (Breast carcinoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80211 Z80211 CHEMBL614721 LoVo (Colon adenocarcinoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80243 Z80243 CHEMBL614334 MDA-MB-453 (Breast adenocarcinoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80901 Z80901 CHEMBL614392 HaCaT (Keratinocytes) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170 Z81170 CHEMBL612518 LNCaP (Prostate carcinoma) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81338 Z81338 CHEMBL614309 T-cells 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_HUMAN P46098 CHEMBL1899 Serotonin 3a (5-HT3a) receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_RAT P08482 CHEMBL276 Muscarinic acetylcholine receptor M1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_HUMAN P08172 CHEMBL211 Muscarinic acetylcholine receptor M2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR_RAT P15207 CHEMBL3072 Androgen Receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCL2_HUMAN P10415 CHEMBL4860 Apoptosis regulator Bcl-2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1C_RABIT P15381 CHEMBL2830 Voltage-gated L-type calcium channel alpha-1C subunit 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1_HUMAN P00915 CHEMBL261 Carbonic anhydrase I 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
FPR2_HUMAN P25090 CHEMBL4227 Lipoxin A4 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPBAR_HUMAN Q8TDU6 CHEMBL5409 G-protein coupled bile acid receptor 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_HUMAN P42261 CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2_HUMAN P42262 CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1_HUMAN P35367 CHEMBL231 Histamine H1 receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
HS90A_HUMAN P07900 CHEMBL3880 Heat shock protein HSP 90-alpha 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
HS90B_HUMAN P08238 CHEMBL4303 Heat shock protein HSP 90-beta 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_HUMAN P09917 CHEMBL215 Arachidonate 5-lipoxygenase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
LUXP_VIBHA P54300 CHEMBL6100 Autoinducer 2-binding periplasmic protein luxP 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR3_MOUSE P21447 CHEMBL2573 P-glycoprotein 3 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR_HUMAN P06401 CHEMBL208 Progesterone receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9BEG3_BOVIN Q9BEG3 CHEMBL2980 Arachidonate 5-lipoxygenase 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR1_HUMAN P17948 CHEMBL1868 Vascular endothelial growth factor receptor 1 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2_HUMAN P35968 CHEMBL279 Vascular endothelial growth factor receptor 2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR3_HUMAN P35916 CHEMBL1955 Vascular endothelial growth factor receptor 3 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101682 Z101682 CHEMBL613915 BK polyomavirus 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102306 Z102306 CHEMBL613606 Aorta 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50339 Z50339 CHEMBL613064 Pneumocystis carinii 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50416 Z50416 CHEMBL363 Aspergillus fumigatus 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50420 Z50420 CHEMBL612851 Trypanosoma brucei brucei 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50606 Z50606 CHEMBL613497 Hepatitis B virus 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50650 Z50650 CHEMBL613738 Measles virus 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50651 Z50651 CHEMBL613739 Vesicular stomatitis virus 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80066 Z80066 CHEMBL614540 CCRF-CEM/VCR-1000 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80112 Z80112 CHEMBL614033 DAN-G 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80244 Z80244 CHEMBL614335 MDA-MB-468 (Breast adenocarcinoma) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295 Z80295 CHEMBL388 MT4 (Lymphocytes) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80427 Z80427 CHEMBL614879 RKO (Colon carcinoma) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80473 Z80473 CHEMBL613527 SISO 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548 Z80548 CHEMBL614245 THP-1 (Acute monocytic leukemia cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80772 Z80772 CHEMBL614781 BV-2 (Microglial cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81245 Z81245 CHEMBL614697 MDA-MB-435 (Breast carcinoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_HUMAN O95264 CHEMBL3895 Serotonin 3b (5-HT3b) receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_CAVPO P46616 CHEMBL2605 Adenosine A2a receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_RAT P29276 CHEMBL2592 Adenosine A2b receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R_HUMAN P33765 CHEMBL256 Adenosine A3 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7_HUMAN P36544 CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_RAT P08483 CHEMBL320 Muscarinic acetylcholine receptor M3 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_HUMAN P08173 CHEMBL1821 Muscarinic acetylcholine receptor M4 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_RAT P08485 CHEMBL317 Muscarinic acetylcholine receptor M4 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_RAT P18090 CHEMBL3252 Beta-1 adrenergic receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3_RAT P26255 CHEMBL4031 Beta-3 adrenergic receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
AHR_HUMAN P35869 CHEMBL3201 Aryl hydrocarbon receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_BOVIN Q95323 CHEMBL281 Carbonic anhydrase IV 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDN1A_HUMAN P38936 CHEMBL5021 CDK-interacting protein 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_HUMAN P21554 CHEMBL218 Cannabinoid CB1 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_HUMAN P35462 CHEMBL234 Dopamine D3 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1_HUMAN P14867 CHEMBL1962 GABA receptor alpha-1 subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2_HUMAN P18507 CHEMBL1788 GABA receptor gamma-2 subunit 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GHSR_HUMAN Q92847 CHEMBL4616 Ghrelin receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_MOUSE P23818 CHEMBL3502 Glutamate receptor ionotropic, AMPA 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6_HUMAN O15303 CHEMBL4573 Metabotropic glutamate receptor 6 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_RAT P12527 CHEMBL312 Arachidonate 5-lipoxygenase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
NK3R_HUMAN P29371 CHEMBL4429 Neurokinin 3 receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRM_HUMAN P35372 CHEMBL233 Mu opioid receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX7_HUMAN Q99572 CHEMBL4805 P2X purinoceptor 7 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY1_HUMAN P47900 CHEMBL4315 Purinergic receptor P2Y1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_HUMAN P23219 CHEMBL221 Cyclooxygenase-1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_HUMAN Q07869 CHEMBL239 Peroxisome proliferator-activated receptor alpha 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTAFR_HUMAN P25105 CHEMBL250 Platelet activating factor receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A11_RAT P31647 CHEMBL3598 GABA transporter 3 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A12_RAT P48056 CHEMBL5248 Betaine transporter 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A13_RAT P31646 CHEMBL4889 GABA transporter 2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A1_RAT P23978 CHEMBL4054 GABA transporter 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPM8_HUMAN Q7Z2W7 CHEMBL1075319 Transient receptor potential cation channel subfamily M member 8 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
V1AR_HUMAN P37288 CHEMBL1889 Vasopressin V1a receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081 Z100081 CHEMBL613107 PBMC (Peripheral blood mononuclear cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100497 Z100497 CHEMBL612571 Bovine viral diarrhea virus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100766 Z100766 CHEMBL613712 Radical scavenging activity 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101821 Z101821 CHEMBL612765 H2N2 subtype 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101822 Z101822 CHEMBL613193 H3N2 subtype 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103205 Z103205 CHEMBL1075390 A431 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50142 Z50142 CHEMBL612610 Influenza A virus (A/PR/8/34(H1N1)) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50424 Z50424 CHEMBL612855 Cryptosporidium parvum 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50452 Z50452 CHEMBL612649 Trichophyton rubrum 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50641 Z50641 CHEMBL613730 West Nile virus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50652 Z50652 CHEMBL613740 Influenza A virus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50665 Z50665 CHEMBL613749 Enterovirus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50666 Z50666 CHEMBL613750 Coxsackievirus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50677 Z50677 CHEMBL613758 Human immunodeficiency virus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164 Z80164 CHEMBL614580 HT-1080 (Fibrosarcoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291 Z80291 CHEMBL614181 MRC5 (Embryonic lung fibroblast cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80356 Z80356 CHEMBL614214 OVCAR-5 (Ovarian adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80387 Z80387 CHEMBL612556 PC-12 (Adrenal phaeochromacytoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80485 Z80485 CHEMBL614919 SK-MEL-28 (Melanoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80604 Z80604 CHEMBL612815 YAPC 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80933 Z80933 CHEMBL613869 HEY (Ovarian carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135 Z81135 CHEMBL614793 L6 (Skeletal muscle myoblast cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335 Z81335 CHEMBL612263 HCT-15 (Colon adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A_HUMAN P08908 CHEMBL214 Serotonin 1a (5-HT1a) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_HUMAN P28221 CHEMBL1983 Serotonin 1d (5-HT1d) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_MOUSE P23979 CHEMBL4972 Serotonin 3a (5-HT3a) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3C_HUMAN Q8WXA8 CHEMBL4795 Serotonin 3c (5-HT3c) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3D_HUMAN Q70Z44 CHEMBL4673 Serotonin 3d (5-HT3d) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3E_HUMAN A5X5Y0 CHEMBL3812 Serotonin 3e (5-HT3e) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT4R_HUMAN Q13639 CHEMBL1875 Serotonin 4 (5-HT4) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT4R_RAT Q62758 CHEMBL4317 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
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_HUMAN P18825 CHEMBL1916 Alpha-2c adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_CANFA P54833 CHEMBL2289 Beta-2 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
C5AR_HUMAN P21730 CHEMBL2373 C5a anaphylatoxin chemotactic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9_HUMAN Q16790 CHEMBL3594 Carbonic anhydrase IX 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR2_HUMAN P34972 CHEMBL253 Cannabinoid CB2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR3_HUMAN P49682 CHEMBL4441 C-X-C chemokine receptor type 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_BOVIN Q95136 CHEMBL2967 Dopamine D1 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_RAT P18901 CHEMBL265 Dopamine D1 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_BOVIN P20288 CHEMBL3998 Dopamine D2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRTS_PLAFK P13922 CHEMBL1939 Dihydrofolate reductase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
FFAR2_HUMAN O15552 CHEMBL5493 Free fatty acid receptor 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
FSHR_HUMAN P23945 CHEMBL2024 Follicle stimulating hormone receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR2_HUMAN P28476 CHEMBL2375 GABA receptor rho-2 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GLR_HUMAN P47871 CHEMBL1985 Glucagon receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3_HUMAN P42263 CHEMBL3595 Glutamate receptor ionotropic, AMPA 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK3_RAT P42264 CHEMBL3744 Glutamate receptor ionotropic kainate 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM1_HUMAN Q13255 CHEMBL3772 Metabotropic glutamate receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6_RAT P35349 CHEMBL3842 Metabotropic glutamate receptor 6 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HMDH_HUMAN P04035 CHEMBL402 HMG-CoA reductase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_RAT Q9QYN8 CHEMBL4124 Histamine H3 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRP1_PLAFA P05227 CHEMBL1923 Histidine-rich protein 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
LPAR2_HUMAN Q9HBW0 CHEMBL3724 Lysophosphatidic acid receptor Edg-4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MCR_HUMAN P08235 CHEMBL1994 Mineralocorticoid receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NR1I2_HUMAN O75469 CHEMBL3401 Pregnane X receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX1_HUMAN P51575 CHEMBL2094 P2X purinoceptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX2_RAT P49653 CHEMBL2135 P2X purinoceptor 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY1_RAT P49651 CHEMBL2497 Purinergic receptor P2Y1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y12_RAT Q9EPX4 CHEMBL2188 Purinergic receptor P2Y12 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE1B_RAT Q01066 CHEMBL3665 Phosphodiesterase 1B 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRA_RAT P20786 CHEMBL2513 Platelet-derived growth factor receptor alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB_RAT Q05030 CHEMBL4125 Platelet-derived growth factor receptor beta 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_RAT Q63921 CHEMBL4042 Cyclooxygenase-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_RAT P35355 CHEMBL2977 Cyclooxygenase-2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_MOUSE P37238 CHEMBL2459 Peroxisome proliferator-activated receptor gamma 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRA_HUMAN P19793 CHEMBL2061 Retinoid X receptor alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3_RAT P23977 CHEMBL338 Dopamine transporter 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4_HUMAN P31645 CHEMBL228 Serotonin transporter 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1_RAT Q9R0C9 CHEMBL3602 Sigma opioid receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TS1R2_HUMAN Q8TE23 CHEMBL1613741 Taste receptor type 1 member 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TS1R3_HUMAN Q7RTX0 CHEMBL1613742 Taste receptor type 1 member 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100275 Z100275 CHEMBL613898 Hemozoin 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100498 Z100498 CHEMBL613289 Hepatocytes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100699 Z100699 CHEMBL613862 Chromobacterium violaceum 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100748 Z100748 CHEMBL613710 Neutrophils 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101849 Z101849 CHEMBL613205 Human papillomavirus type 16 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101865 Z101865 CHEMBL612790 Leishmania chagasi 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101973 Z101973 CHEMBL613240 Paracentrotus lividus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102013 Z102013 CHEMBL613257 Plasmodium malariae 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102015 Z102015 CHEMBL613013 Plasmodium vivax 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102121 Z102121 CHEMBL613162 Trichophyton mentagrophytes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102213 Z102213 CHEMBL613416 Blood 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102380 Z102380 CHEMBL613680 Ileum 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50046 Z50046 CHEMBL612334 Trichophyton quinckeanum 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50186 Z50186 CHEMBL353 Staphylococcus epidermidis 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50408 Z50408 CHEMBL612841 Issatchenkia orientalis 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50409 Z50409 CHEMBL612842 Kluyveromyces marxianus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50436 Z50436 CHEMBL365 Filobasidiella neoformans 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50443 Z50443 CHEMBL612647 Candida glabrata 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50458 Z50458 CHEMBL612878 Leishmania braziliensis 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50474 Z50474 CHEMBL612889 Plasmodium yoelii 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50530 Z50530 CHEMBL371 Human herpesvirus 5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50574 Z50574 CHEMBL612667 Xenopus sp. 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588 Z50588 CHEMBL373 Canis familiaris 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50589 Z50589 CHEMBL612670 Felis catus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50590 Z50590 CHEMBL613488 Sus scrofa 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50636 Z50636 CHEMBL613725 Sindbis virus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50658 Z50658 CHEMBL380 Human immunodeficiency virus 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80002 Z80002 CHEMBL614075 1A9 (Ovarian adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80006 Z80006 CHEMBL614510 3T3-L1 (Fibroblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80024 Z80024 CHEMBL614518 A9 (Fibroblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80092 Z80092 CHEMBL614031 CHO-K1 (Ovarian cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80099 Z80099 CHEMBL614561 COLO 205 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80106 Z80106 CHEMBL614563 COS-1 (Kidney cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80111 Z80111 CHEMBL614566 CX-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80169 Z80169 CHEMBL614039 Huh-7 (Hepatocellular carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80334 Z80334 CHEMBL613828 NG108-15 (Neuroblastoma-glioma hybrid cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80419 Z80419 CHEMBL614772 RBL-1 (Basophilic leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80472 Z80472 CHEMBL612542 SiHa (Cervical squamous cell carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493 Z80493 CHEMBL614925 SK-OV-3 (Ovarian carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80532 Z80532 CHEMBL614774 T-24 (Bladder 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
Z80667 Z80667 CHEMBL614262 AA8 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80711 Z80711 CHEMBL613829 NCI/ADR-RES (Breast carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80897 Z80897 CHEMBL614806 H9 (T-lymphoid cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80945 Z80945 CHEMBL614735 HEp-2 (Laryngeal carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80952 Z80952 CHEMBL614662 HES 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80980 Z80980 CHEMBL614736 HOS (Osteosarcoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81011 Z81011 CHEMBL614840 human cell lines 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81201 Z81201 CHEMBL614643 HOP-62 (Non-small cell lung carcinoma cells) 2 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_RAT P14842 CHEMBL322 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_RAT P08909 CHEMBL324 Serotonin 2c (5-HT2c) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_RAT P35563 CHEMBL2411 Serotonin 3a (5-HT3a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_RAT Q9JJ16 CHEMBL3458 Serotonin 3b (5-HT3b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT6R_HUMAN P50406 CHEMBL3371 Serotonin 6 (5-HT6) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT7R_HUMAN P34969 CHEMBL3155 Serotonin 7 (5-HT7) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_RABIT P34970 CHEMBL3947 Adenosine A1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_RAT P25099 CHEMBL318 Adenosine A1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R_RABIT O02667 CHEMBL2603 Adenosine A3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABCC9_RAT Q63563 CHEMBL3244 Sulfonylurea receptor 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3_RAT P04757 CHEMBL3818 Neuronal acetylcholine receptor protein alpha-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_MOUSE Q9ERZ3 CHEMBL5105 Muscarinic acetylcholine receptor M3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1B_HUMAN P35368 CHEMBL232 Alpha-1b adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D_HUMAN P25100 CHEMBL223 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
ADA2B_RAT P19328 CHEMBL266 Alpha-2b adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY1_HUMAN Q08828 CHEMBL2899 Brain adenylate cyclase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY2_HUMAN Q08462 CHEMBL3760 Adenylate cyclase type II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY2_RAT P26769 CHEMBL2958 Adenylate cyclase type II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY3_RAT P21932 CHEMBL4864 Adenylate cyclase type III 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY4_RAT P26770 CHEMBL2879 Adenylate cyclase type IV 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY5_RAT Q04400 CHEMBL2880 Adenylate cyclase type V 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY6_RAT Q03343 CHEMBL2975 Adenylate cyclase type VI 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY8_HUMAN P40145 CHEMBL2960 Adenylate cyclase type VIII 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY8_RAT P40146 CHEMBL3082 Adenylate cyclase type VIII 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_MOUSE P34971 CHEMBL3440 Beta-1 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_MESAU P04274 CHEMBL5943 Beta-2 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_MOUSE P18762 CHEMBL3707 Beta-2 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB3_MOUSE P25962 CHEMBL4030 Beta-3 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR1_BOVIN P25104 CHEMBL3374 Angiotensin II type 1a (AT-1a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR1_HUMAN P30556 CHEMBL227 Angiotensin II type 1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR1_RABIT P34976 CHEMBL3948 Angiotensin II type 1a (AT-1a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR2_HUMAN P50052 CHEMBL4607 Angiotensin II type 2 (AT-2) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR2_RAT P35351 CHEMBL257 Angiotensin II type 2 (AT-2) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTRA_RAT P25095 CHEMBL329 Angiotensin II type 1a (AT-1a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTRB_RAT P29089 CHEMBL263 Angiotensin II type 1b (AT-1b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR_HUMAN P15121 CHEMBL1900 Aldose reductase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ATP4A_HUMAN P20648 CHEMBL1802 Potassium-transporting ATPase alpha chain 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ATP4B_HUMAN P51164 CHEMBL5207 Potassium-transporting ATPase beta chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BACE1_HUMAN P56817 CHEMBL4822 Beta-secretase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BACE2_HUMAN Q9Y5Z0 CHEMBL2525 Beta secretase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BRS3_HUMAN P32247 CHEMBL4080 Bombesin like receptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
C11B1_BOVIN P15150 CHEMBL2927 Cytochrome P450 11B1 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
CAC1C_RAT P22002 CHEMBL3762 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
CAC1G_RAT O54898 CHEMBL4257 Voltage-gated T-type calcium channel alpha-1G subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1H_RAT Q9EQ60 CHEMBL5134 Voltage-gated T-type calcium channel alpha-1H subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1I_RAT Q9Z0Y8 CHEMBL5459 Voltage-gated T-type calcium channel alpha-1I subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCR5_HUMAN P51681 CHEMBL274 C-C chemokine receptor type 5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CCR8_HUMAN P51685 CHEMBL4596 C-C chemokine receptor type 8 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
D4A3N4_RAT D4A3N4 CHEMBL2679 Brain adenylate cyclase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_HUMAN P21728 CHEMBL2056 Dopamine D1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3_RAT P19020 CHEMBL3138 Dopamine D3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_RAT P30729 CHEMBL3361 Dopamine D4 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD5_RAT P25115 CHEMBL2281 Dopamine D5 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR3_HUMAN P62508 CHEMBL4245 Estrogen-related receptor gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GABR1_HUMAN Q9UBS5 CHEMBL2064 GABA-B receptor 1 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
GBRB1_HUMAN P18505 CHEMBL4558 GABA receptor beta-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB2_HUMAN P47870 CHEMBL1920 GABA receptor beta-2 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3_HUMAN P28472 CHEMBL1847 GABA receptor beta-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR1_HUMAN P24046 CHEMBL3561 GABA receptor rho-1 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR3_HUMAN A8MPY1 CHEMBL2394 GABA receptor rho-3 subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GCR_HUMAN P04150 CHEMBL2034 Glucocorticoid receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GP119_HUMAN Q8TDV5 CHEMBL5652 Glucose-dependent insulinotropic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2_MOUSE P23819 CHEMBL3205 Glutamate receptor ionotropic, AMPA 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3_MOUSE Q9Z2W9 CHEMBL3624 Glutamate receptor ionotropic, AMPA 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA4_HUMAN P48058 CHEMBL3190 Glutamate receptor ionotropic, AMPA 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA4_MOUSE Q9Z2W8 CHEMBL3615 Glutamate receptor ionotropic, AMPA 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK1_HUMAN P39086 CHEMBL1918 Glutamate receptor ionotropic kainate 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK1_RAT P22756 CHEMBL2919 Glutamate receptor ionotropic kainate 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK2_RAT P42260 CHEMBL3607 Glutamate receptor ionotropic kainate 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK4_RAT Q01812 CHEMBL3044 Glutamate receptor ionotropic kainate 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIK5_RAT Q63273 CHEMBL4041 Glutamate receptor ionotropic kainate 5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM2_HUMAN Q14416 CHEMBL5137 Metabotropic glutamate receptor 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM2_RAT P31421 CHEMBL2851 Metabotropic glutamate receptor 2 1 Annotations Catalogs SMILES