UCSF

Apexmol Building Blocks

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

Functional 10μM Targets with Highest Number of Available Compounds (410 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 37 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 32 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_HUMAN Q96RJ0 CHEMBL5857 Trace amine-associated receptor 1 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid receptor 1 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast leukemia cells) 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607 Z50607 CHEMBL378 Human immunodeficiency virus 1 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast adenocarcinoma cells) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594 Z50594 CHEMBL375 Mus musculus 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon carcinoma cells) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma cells) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic leukemia cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587 Z50587 CHEMBL372 Homo sapiens 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592 Z50592 CHEMBL374 Oryctolagus cuniculus 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50677 Z50677 CHEMBL613758 Human immunodeficiency virus 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064 Z80064 CHEMBL382 CCRF-CEM (T-cell leukemia) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034 Z81034 CHEMBL614004 A2780 (Ovarian carcinoma cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422 Z50422 CHEMBL612853 Entamoeba histolytica 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468 Z50468 CHEMBL612652 Giardia intestinalis 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512 Z50512 CHEMBL369 Cavia porcellus 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50606 Z50606 CHEMBL613497 Hepatitis B virus 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548 Z80548 CHEMBL614245 THP-1 (Acute monocytic leukemia 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
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG_HUMAN P37231 CHEMBL235 Peroxisome proliferator-activated receptor gamma 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164 Z80164 CHEMBL614580 HT-1080 (Fibrosarcoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295 Z80295 CHEMBL388 MT4 (Lymphocytes) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493 Z80493 CHEMBL614925 SK-OV-3 (Ovarian carcinoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell leukemia) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_HUMAN P41595 CHEMBL1833 Serotonin 2b (5-HT2b) receptor 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR1_HUMAN P25024 CHEMBL4029 Interleukin-8 receptor A 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR2_HUMAN P25025 CHEMBL2434 Interleukin-8 receptor B 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB2_HUMAN P04626 CHEMBL1824 Receptor protein-tyrosine kinase erbB-2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_HUMAN Q07869 CHEMBL239 Peroxisome proliferator-activated receptor alpha 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103205 Z103205 CHEMBL1075390 A431 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50472 Z50472 CHEMBL612888 Toxoplasma gondii 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50658 Z50658 CHEMBL380 Human immunodeficiency virus 2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362 Z80362 CHEMBL389 P388 (Lymphoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80466 Z80466 CHEMBL614907 SF268 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80475 Z80475 CHEMBL613834 SK-BR-3 (Breast adenocarcinoma) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80485 Z80485 CHEMBL614919 SK-MEL-28 (Melanoma cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712 Z80712 CHEMBL614361 T47D (Breast carcinoma cells) 4 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
GRM1_HUMAN Q13255 CHEMBL3772 Metabotropic glutamate receptor 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6_RAT P35349 CHEMBL3842 Metabotropic glutamate receptor 6 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_HUMAN P09917 CHEMBL215 Arachidonate 5-lipoxygenase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK11_HUMAN Q15759 CHEMBL3961 MAP kinase p38 beta 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK12_HUMAN P53778 CHEMBL4674 MAP kinase p38 gamma 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK13_HUMAN O15264 CHEMBL2939 MAP kinase p38 delta 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_HUMAN Q16539 CHEMBL260 MAP kinase p38 alpha 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1_HUMAN P23219 CHEMBL221 Cyclooxygenase-1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2_HUMAN P35354 CHEMBL230 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
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
TRPA1_HUMAN O75762 CHEMBL6007 Transient receptor potential cation channel subfamily A member 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50530 Z50530 CHEMBL371 Human herpesvirus 5 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50602 Z50602 CHEMBL377 Human herpesvirus 1 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643 Z50643 CHEMBL379 Hepatitis C virus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50652 Z50652 CHEMBL613740 Influenza A virus 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136 Z80136 CHEMBL614297 FM3A (Breast carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80244 Z80244 CHEMBL614335 MDA-MB-468 (Breast adenocarcinoma) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80322 Z80322 CHEMBL614135 NCI-H358 (Lung carcinama cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage leukemia cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80526 Z80526 CHEMBL612544 SW480 (Colon adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute leukemic T-cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331 Z81331 CHEMBL612262 SW-620 (Colon adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335 Z81335 CHEMBL612263 HCT-15 (Colon adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81338 Z81338 CHEMBL614309 T-cells 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_RAT P14842 CHEMBL322 Serotonin 2a (5-HT2a) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_RAT P30994 CHEMBL323 Serotonin 2b (5-HT2b) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_RAT P08909 CHEMBL324 Serotonin 2c (5-HT2c) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3_HUMAN P32297 CHEMBL3068 Neuronal acetylcholine receptor protein alpha-3 subunit 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
ACHB2_HUMAN P17787 CHEMBL1883 Neuronal acetylcholine receptor protein beta-2 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB4_HUMAN P30926 CHEMBL3002 Neuronal acetylcholine receptor protein beta-4 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1_HUMAN P11229 CHEMBL216 Muscarinic acetylcholine receptor M1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2_HUMAN P08172 CHEMBL211 Muscarinic acetylcholine receptor M2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3_HUMAN P20309 CHEMBL245 Muscarinic acetylcholine receptor M3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4_HUMAN P08173 CHEMBL1821 Muscarinic acetylcholine receptor M4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM5_HUMAN P08912 CHEMBL2035 Muscarinic acetylcholine receptor M5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A_HUMAN P08913 CHEMBL1867 Alpha-2a adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B_HUMAN P18089 CHEMBL1942 Alpha-2b adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C_HUMAN P18825 CHEMBL1916 Alpha-2c adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY1_HUMAN Q08828 CHEMBL2899 Brain adenylate cyclase 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_CAVPO Q8K4Z4 CHEMBL5414 Beta-2 adrenergic receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_RAT P61169 CHEMBL339 Dopamine D2 receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1_HUMAN P03372 CHEMBL206 Estrogen receptor alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_HUMAN Q92731 CHEMBL242 Estrogen receptor beta 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR2_HUMAN P28476 CHEMBL2375 GABA receptor rho-2 subunit 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_RAT P19490 CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3_RAT P19492 CHEMBL3504 Glutamate receptor ionotropic, AMPA 3 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM1_RAT P23385 CHEMBL4477 Metabotropic glutamate receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM4_RAT P31423 CHEMBL2787 Metabotropic glutamate receptor 4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_RAT P31424 CHEMBL2564 Metabotropic glutamate receptor 5 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM8_HUMAN O00222 CHEMBL3228 Metabotropic glutamate receptor 8 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM8_RAT P70579 CHEMBL2718 Metabotropic glutamate receptor 8 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
ITA5_HUMAN P08648 CHEMBL3955 Fibronectin receptor alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NTR1_HUMAN P30989 CHEMBL4123 Neurotensin receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX1_HUMAN P51575 CHEMBL2094 P2X purinoceptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY1_HUMAN P47900 CHEMBL4315 Purinergic receptor P2Y1 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
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
RXRA_HUMAN P19793 CHEMBL2061 Retinoid X receptor alpha 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TNFA_HUMAN P01375 CHEMBL1825 TNF-alpha 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
Z100081 Z100081 CHEMBL613107 PBMC (Peripheral blood mononuclear cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100405 Z100405 CHEMBL613835 MV4-11 (Myeloid leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100492 Z100492 CHEMBL613878 MCF10 (Normal breast epithelial cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100741 Z100741 CHEMBL614867 MC9 (Mast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101822 Z101822 CHEMBL613193 H3N2 subtype 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102116 Z102116 CHEMBL613159 Toxoplasma gondii RH 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103348 Z103348 CHEMBL1075533 NCI-H2122 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104282 Z104282 CHEMBL1907588 Acetylcholine receptor; alpha1/beta1/delta/gamma 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104288 Z104288 CHEMBL1907594 Neuronal acetylcholine receptor; alpha3/beta4 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104302 Z104302 CHEMBL1907608 Glutamate NMDA receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304 Z104304 CHEMBL1907610 Adrenergic receptor alpha-1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50038 Z50038 CHEMBL612328 Plasmodium yoelii yoelii 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50142 Z50142 CHEMBL612610 Influenza A virus (A/PR/8/34(H1N1)) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418 Z50418 CHEMBL612849 Trypanosoma brucei 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466 Z50466 CHEMBL368 Trypanosoma cruzi 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50467 Z50467 CHEMBL612884 Trichomonas vaginalis 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50515 Z50515 CHEMBL370 Human herpesvirus 2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80006 Z80006 CHEMBL614510 3T3-L1 (Fibroblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035 Z80035 CHEMBL381 B16 (Melanoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80037 Z80037 CHEMBL614065 Balb/MK 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80054 Z80054 CHEMBL614058 Caco-2 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80101 Z80101 CHEMBL614562 COLO 320DM (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80106 Z80106 CHEMBL614563 COS-1 (Kidney cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125 Z80125 CHEMBL613508 DU-145 (Prostate carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80188 Z80188 CHEMBL614590 KB 3-1 (Cervical epithelial carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80269 Z80269 CHEMBL614354 MKN-45 (Gastric adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80523 Z80523 CHEMBL614944 SW1353 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80532 Z80532 CHEMBL614774 T-24 (Bladder carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80641 Z80641 CHEMBL614254 791T cell line 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80724 Z80724 CHEMBL614705 C170 cell line 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80852 Z80852 CHEMBL614069 A-431 (Epidermoid carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80877 Z80877 CHEMBL612255 NCI-H1299 (Non-small cell lung carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80954 Z80954 CHEMBL614071 HFF (Foreskin fibroblasts) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80961 Z80961 CHEMBL614828 HN5 (Squamous cell carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical vein endothelial cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135 Z81135 CHEMBL614793 L6 (Skeletal muscle myoblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170 Z81170 CHEMBL612518 LNCaP (Prostate carcinoma) 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
5HT1B_HUMAN P28222 CHEMBL1898 Serotonin 1b (5-HT1b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_CANFA Q60F97 CHEMBL1770041 5-hydroxytryptamine receptor 2C 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_HUMAN P46098 CHEMBL1899 Serotonin 3a (5-HT3a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_HUMAN O95264 CHEMBL3895 Serotonin 3b (5-HT3b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT4R_HUMAN Q13639 CHEMBL1875 Serotonin 4 (5-HT4) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL1_HUMAN P00519 CHEMBL1862 Tyrosine-protein kinase ABL 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase 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
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
ADCY8_HUMAN P40145 CHEMBL2960 Adenylate cyclase type VIII 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1_HUMAN P08588 CHEMBL213 Beta-1 adrenergic receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2_HUMAN P07550 CHEMBL210 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
AGTR1_HUMAN P30556 CHEMBL227 Angiotensin II type 1 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
AHR_HUMAN P35869 CHEMBL3201 Aryl hydrocarbon receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AL5AP_HUMAN P20292 CHEMBL4550 5-lipoxygenase activating protein 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AOFA_MOUSE Q64133 CHEMBL3681 Monoamine oxidase A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ARP19_RAT Q712U5 CHEMBL2170 cyclic AMP phosphoprotein 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCR_HUMAN P11274 CHEMBL5146 Breakpoint cluster region protein 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BRAF_HUMAN P15056 CHEMBL5145 Serine/threonine-protein kinase B-raf 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_RAT P22002 CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1D_RAT P27732 CHEMBL4132 Voltage-gated L-type calcium channel alpha-1D subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1E_RAT Q07652 CHEMBL4115 Voltage-gated R-type calcium channel alpha-1E subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1S_RAT Q02485 CHEMBL4108 Voltage-gated L-type calcium channel alpha-1S subunit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2_HUMAN P00918 CHEMBL205 Carbonic anhydrase II 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4_BOVIN Q95323 CHEMBL281 Carbonic anhydrase IV 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_HUMAN P21554 CHEMBL218 Cannabinoid CB1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1_MOUSE P47746 CHEMBL3037 Cannabinoid CB1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_HUMAN P21728 CHEMBL2056 Dopamine D1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1_RAT P18901 CHEMBL265 Dopamine D1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 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
EGFR_MOUSE Q01279 CHEMBL3608 Epidermal growth factor receptor erbB1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB4_HUMAN Q15303 CHEMBL3009 Receptor protein-tyrosine kinase erbB-4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FFAR1_HUMAN O14842 CHEMBL4422 Free fatty acid receptor 1 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
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA1_HUMAN P42261 CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2_HUMAN P42262 CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2_RAT P19491 CHEMBL3503 Glutamate receptor ionotropic, AMPA 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3_HUMAN P42263 CHEMBL3595 Glutamate receptor ionotropic, AMPA 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA4_RAT P19493 CHEMBL3505 Glutamate receptor ionotropic, AMPA 4 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 SDF Mol2 Flexibase
GRM3_HUMAN Q14832 CHEMBL2888 Metabotropic glutamate receptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM3_RAT P31422 CHEMBL3067 Metabotropic glutamate receptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM4_HUMAN Q14833 CHEMBL2736 Metabotropic glutamate receptor 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5_HUMAN P41594 CHEMBL3227 Metabotropic glutamate receptor 5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6_HUMAN O15303 CHEMBL4573 Metabotropic glutamate receptor 6 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_RAT Q80Z39 CHEMBL4731 HM74 nicotinic acid GPCR 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDA10_HUMAN Q969S8 CHEMBL5103 Histone deacetylase 10 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDA11_HUMAN Q96DB2 CHEMBL3310 Histone deacetylase 11 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC1_HUMAN Q13547 CHEMBL325 Histone deacetylase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC2_HUMAN Q92769 CHEMBL1937 Histone deacetylase 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC3_HUMAN O15379 CHEMBL1829 Histone deacetylase 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC4_HUMAN P56524 CHEMBL3524 Histone deacetylase 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC5_HUMAN Q9UQL6 CHEMBL2563 Histone deacetylase 5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC6_HUMAN Q9UBN7 CHEMBL1865 Histone deacetylase 6 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC7_HUMAN Q8WUI4 CHEMBL2716 Histone deacetylase 7 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC8_HUMAN Q9BY41 CHEMBL3192 Histone deacetylase 8 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC9_HUMAN Q9UKV0 CHEMBL4145 Histone deacetylase 9 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1_HUMAN P35367 CHEMBL231 Histamine H1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_HUMAN Q9Y5N1 CHEMBL264 Histamine H3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3_RAT Q9QYN8 CHEMBL4124 Histamine H3 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH4_HUMAN Q9H3N8 CHEMBL3759 Histamine H4 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK1_MOUSE P52332 CHEMBL2968 Tyrosine-protein kinase JAK1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
JAK3_MOUSE Q62137 CHEMBL5250 Tyrosine-protein kinase JAK3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2_HUMAN Q12809 CHEMBL240 HERG 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIF11_HUMAN P52732 CHEMBL4581 Kinesin-like protein 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KITH_HUMAN P04183 CHEMBL2883 Thymidine kinase, cytosolic 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIT_HUMAN P10721 CHEMBL1936 Stem cell growth factor receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5_RAT P12527 CHEMBL312 Arachidonate 5-lipoxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDFA_ECOLI P0AEY8 CHEMBL4785 Multidrug translocase mdfA 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MP2K1_HUMAN Q02750 CHEMBL3587 Dual specificity mitogen-activated protein kinase kinase 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1A_CHICK P49285 CHEMBL4555 Melatonin receptor 1A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1B_CHICK P51050 CHEMBL4466 Melatonin receptor 1B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1C_CHICK P49288 CHEMBL3196 Melatonin receptor 1C 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE1_RAT Q00959 CHEMBL310 Glutamate [NMDA] receptor subunit epsilon 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1_RAT P35439 CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX2_HUMAN Q9UBL9 CHEMBL2531 P2X purinoceptor 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX2_RAT P49653 CHEMBL2135 P2X purinoceptor 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX3_HUMAN P56373 CHEMBL2998 P2X purinoceptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX3_RAT P49654 CHEMBL4824 P2X purinoceptor 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX4_HUMAN Q99571 CHEMBL2104 P2X purinoceptor 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX4_RAT P51577 CHEMBL2818 P2X purinoceptor 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX5_RAT P51578 CHEMBL2495 P2X purinoceptor 5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX6_RAT P51579 CHEMBL2122 P2X purinoceptor 6 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY1_MELGA P49652 CHEMBL5720 P2Y purinoceptor 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY2_HUMAN P41231 CHEMBL4398 Purinergic receptor P2Y2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY4_RAT O35811 CHEMBL2124 Pyrimidinergic receptor P2Y4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y11_HUMAN Q96G91 CHEMBL4867 Purinergic receptor P2Y11 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PD2R_HUMAN Q13258 CHEMBL4427 Prostanoid DP receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRA_HUMAN P16234 CHEMBL2007 Platelet-derived growth factor receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRA_MOUSE P26618 CHEMBL3466 Platelet-derived growth factor receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB_MOUSE P05622 CHEMBL2749 Platelet-derived growth factor receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA_MOUSE P23204 CHEMBL2128 Peroxisome proliferator-activated receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARD_HUMAN Q03181 CHEMBL3979 Peroxisome proliferator-activated receptor delta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARD_MOUSE P35396 CHEMBL2458 Peroxisome proliferator-activated receptor delta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72874_9HIV1 Q72874 CHEMBL243 Human immunodeficiency virus type 1 protease 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q8JXU8_9HEPC Q8JXU8 CHEMBL5375 Hepatitis C virus NS5B RNA-dependent RNA polymerase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q94F81_MAIZE Q94F81 CHEMBL4919 Histone deacetylase HD2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4_RAT Q9WTR4 CHEMBL304 Norepinephrine transporter 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RAF1_HUMAN P04049 CHEMBL1906 Serine/threonine-protein kinase RAF 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARA_HUMAN P10276 CHEMBL2055 Retinoic acid receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARB_HUMAN P10826 CHEMBL2008 Retinoic acid receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARG_HUMAN P13631 CHEMBL2003 Retinoic acid receptor gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TA2R_HUMAN P21731 CHEMBL2069 Thromboxane A2 receptor 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
TGFR1_HUMAN P36897 CHEMBL4439 TGF-beta receptor type I 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THAS_HUMAN P24557 CHEMBL1835 Thromboxane-A synthase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THRB_HUMAN P00734 CHEMBL204 Thrombin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TPOR_HUMAN P40238 CHEMBL1864 Thrombopoietin receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100499 Z100499 CHEMBL612575 SARS coronavirus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100731 Z100731 CHEMBL613842 Bcap37 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101736 Z101736 CHEMBL613347 Colletotrichum coccodes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101794 Z101794 CHEMBL612743 Felid herpesvirus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101821 Z101821 CHEMBL612765 H2N2 subtype 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101852 Z101852 CHEMBL612783 Influenza C virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101865 Z101865 CHEMBL612790 Leishmania chagasi 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101973 Z101973 CHEMBL613240 Paracentrotus lividus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102015 Z102015 CHEMBL613013 Plasmodium vivax 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102020 Z102020 CHEMBL613016 Porcine endogenous retrovirus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102178 Z102178 CHEMBL613694 Liver microsomes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102306 Z102306 CHEMBL613606 Aorta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103203 Z103203 CHEMBL1075388 A375 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103204 Z103204 CHEMBL1075389 A427 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103419 Z103419 CHEMBL1075604 UACC-812 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104287 Z104287 CHEMBL1907593 Neuronal acetylcholine receptor; alpha3/beta4 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
Z50136 Z50136 CHEMBL612608 Plasmodium falciparum (isolate FcB1 / Columbia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50212 Z50212 CHEMBL354 Escherichia coli 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380 Z50380 CHEMBL613088 Mycobacterium smegmatis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50417 Z50417 CHEMBL612848 Leishmania infantum 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50457 Z50457 CHEMBL612877 Leishmania amazonensis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50458 Z50458 CHEMBL612878 Leishmania braziliensis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50459 Z50459 CHEMBL367 Leishmania donovani 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50460 Z50460 CHEMBL612879 Leishmania major 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50517 Z50517 CHEMBL613123 Human herpesvirus 5 strain AD169 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50518 Z50518 CHEMBL613124 Human herpesvirus 4 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50523 Z50523 CHEMBL613129 Influenza B virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50525 Z50525 CHEMBL613131 Tacaribe virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50527 Z50527 CHEMBL613132 Human herpesvirus 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50573 Z50573 CHEMBL613478 Xenopus laevis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50574 Z50574 CHEMBL612667 Xenopus sp. 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588 Z50588 CHEMBL373 Canis familiaris 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50590 Z50590 CHEMBL613488 Sus scrofa 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50600 Z50600 CHEMBL613493 Vaccinia virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50611 Z50611 CHEMBL613500 Moloney murine leukemia virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50612 Z50612 CHEMBL613501 Moloney murine sarcoma virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50654 Z50654 CHEMBL612675 Junin virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50655 Z50655 CHEMBL613742 Pichinde virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80005 Z80005 CHEMBL614077 3T3 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80024 Z80024 CHEMBL614518 A9 (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
Z80040 Z80040 CHEMBL614527 BHK-21 (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80067 Z80067 CHEMBL614541 CCRF-HSB-2 (T-cell leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076 Z80076 CHEMBL614548 CEM-SS (T-cell leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80088 Z80088 CHEMBL613853 CHO (Ovarian cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80100 Z80100 CHEMBL614257 COLO 320 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80109 Z80109 CHEMBL614565 CTLL (Cytotoxic T-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80118 Z80118 CHEMBL614284 Detroit 551 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80120 Z80120 CHEMBL614285 DLD-1 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80132 Z80132 CHEMBL614293 EL4 (Thymoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80141 Z80141 CHEMBL614571 GH3 (Pituitary adenoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80145 Z80145 CHEMBL614045 H69 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80192 Z80192 CHEMBL614709 KM12 (Colon adenocarcinoma 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
Z80227 Z80227 CHEMBL614324 MCF7-ADR (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80231 Z80231 CHEMBL614328 MCF7S (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80262 Z80262 CHEMBL614348 NCI-H1975 (Bronchoalveolar carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80268 Z80268 CHEMBL614353 MKN-28 (Gastric epithelial carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80285 Z80285 CHEMBL614177 MOLT-4 (Acute T-lymphoblastic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291 Z80291 CHEMBL614181 MRC5 (Embryonic lung fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80294 Z80294 CHEMBL614184 MT2 (Lymphocytes) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80296 Z80296 CHEMBL614185 MVLN 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80334 Z80334 CHEMBL613828 NG108-15 (Neuroblastoma-glioma hybrid cells) 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
Z80414 Z80414 CHEMBL614628 Raji (B-lymphoblastic cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80419 Z80419 CHEMBL614772 RBL-1 (Basophilic leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80427 Z80427 CHEMBL614879 RKO (Colon carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80429 Z80429 CHEMBL614881 RPMI 6410 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80482 Z80482 CHEMBL614917 SK-MEL-2 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80490 Z80490 CHEMBL614923 SK-MES-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80500 Z80500 CHEMBL614930 SNB-7 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80513 Z80513 CHEMBL614939 SQ20B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80514 Z80514 CHEMBL614166 St-4 (Stomach carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80525 Z80525 CHEMBL614055 SW48 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80552 Z80552 CHEMBL615015 TLX-5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80589 Z80589 CHEMBL614391 WI-38 (Embryonic lung fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80608 Z80608 CHEMBL614393 ZR-75-1 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80653 Z80653 CHEMBL613105 9L (Glioma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80678 Z80678 CHEMBL614270 AMML cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80686 Z80686 CHEMBL614274 AZ-521 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80711 Z80711 CHEMBL613829 NCI/ADR-RES (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80742 Z80742 CHEMBL614657 C6 (Glioma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80768 Z80768 CHEMBL614455 CH1 (Ovarian carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80777 Z80777 CHEMBL614800 CML/BC cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80838 Z80838 CHEMBL614489 EOL1 (Eosinophilic cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80857 Z80857 CHEMBL614499 Friend leukemia cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80862 Z80862 CHEMBL614157 GC3/MTK- cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80870 Z80870 CHEMBL614505 GM892A cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80896 Z80896 CHEMBL614805 NCI-H69 (Small cell lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80901 Z80901 CHEMBL614392 HaCaT (Keratinocytes) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80902 Z80902 CHEMBL614150 HASMC (Aortic smooth muscle cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80942 Z80942 CHEMBL613888 HEL (Embryonic lung cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80945 Z80945 CHEMBL614735 HEp-2 (Laryngeal carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80951 Z80951 CHEMBL614822 NIH3T3 (Fibroblasts) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81017 Z81017 CHEMBL614647 WiDr (Colon adenocarcinoma cells) 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
Z81048 Z81048 CHEMBL613973 TSU (Prostatic carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81054 Z81054 CHEMBL613977 SF-268 (Glioblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81068 Z81068 CHEMBL614649 Ishikawa (Uterine carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81077 Z81077 CHEMBL613989 KATO III cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81121 Z81121 CHEMBL613996 KKLS cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81138 Z81138 CHEMBL613872 ScN2a (Scrapie-infected neuroblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81166 Z81166 CHEMBL614092 LLC cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81184 Z81184 CHEMBL614096 LOX IMVI (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81187 Z81187 CHEMBL614098 LT12 tumor cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81192 Z81192 CHEMBL614101 PC-8 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81193 Z81193 CHEMBL614102 PC-9 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81217 Z81217 CHEMBL614018 LY3.7.2C TK-/- cell lines 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81244 Z81244 CHEMBL614123 J774 (Macrophage cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81277 Z81277 CHEMBL613287 NCI-N417 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81280 Z81280 CHEMBL614740 NCI-H226 (Non-small cell lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81283 Z81283 CHEMBL614387 NCI-H522 (Non-small cell lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81330 Z81330 CHEMBL614304 SNU- 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81346 Z81346 CHEMBL614313 Melanophores (Melanophore cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase