UCSF

TimTec BB Make on Demand

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

Functional 10μM Targets with Highest Number of Available Compounds (91 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_HUMAN P41595 CHEMBL1833 Serotonin 2b (5-HT2b) receptor 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 25 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50467 Z50467 CHEMBL612884 Trichomonas vaginalis 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468 Z50468 CHEMBL612652 Giardia intestinalis 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44_HUMAN Q9Y5Y4 CHEMBL5071 G protein-coupled receptor 44 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035 Z80035 CHEMBL381 B16 (Melanoma cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage leukemia cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ECR_AEDAE P49880 CHEMBL3413 Ecdysone receptor 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_HUMAN Q96RJ0 CHEMBL5857 Trace amine-associated receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB2B_BOVIN Q6B856 CHEMBL3394 Tubulin beta chain 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50600 Z50600 CHEMBL613493 Vaccinia virus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80211 Z80211 CHEMBL614721 LoVo (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80244 Z80244 CHEMBL614335 MDA-MB-468 (Breast adenocarcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335 Z81335 CHEMBL612263 HCT-15 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D_HUMAN P28221 CHEMBL1983 Serotonin 1d (5-HT1d) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R_RAT P25099 CHEMBL318 Adenosine A1 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR_RAT P30543 CHEMBL302 Adenosine A2a receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2BR_HUMAN P29275 CHEMBL255 Adenosine A2b receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1_HUMAN P03372 CHEMBL206 Estrogen receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_HUMAN Q92731 CHEMBL242 Estrogen receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q862F3_BOVIN Q862F3 CHEMBL4262 Tubulin alpha chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q862L2_BOVIN Q862L2 CHEMBL3752 Tubulin alpha-1 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBA1A_PIG P02550 CHEMBL3658 Tubulin alpha chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBA1A_RAT P68370 CHEMBL4139 Tubulin alpha-1 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBA4A_HUMAN P68366 CHEMBL2070 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
TBB3_HUMAN Q13509 CHEMBL2597 Tubulin beta-3 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB4A_HUMAN P04350 CHEMBL3838 Tubulin beta-4 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB4B_HUMAN P68371 CHEMBL1848 Tubulin beta-2 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB5_HUMAN P07437 CHEMBL5444 Tubulin beta-5 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TBB8_HUMAN Q3ZCM7 CHEMBL4024 Tubulin beta-8 chain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TTHY_HUMAN P02766 CHEMBL3194 Transthyretin 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101682 Z101682 CHEMBL613915 BK polyomavirus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101843 Z101843 CHEMBL613202 Human coxsackievirus B2 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
Z103205 Z103205 CHEMBL1075390 A431 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50442 Z50442 CHEMBL366 Candida albicans 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50590 Z50590 CHEMBL613488 Sus scrofa 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607 Z50607 CHEMBL378 Human immunodeficiency virus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80002 Z80002 CHEMBL614075 1A9 (Ovarian adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80024 Z80024 CHEMBL614518 A9 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80025 Z80025 CHEMBL614519 ACHN (Renal adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80088 Z80088 CHEMBL613853 CHO (Ovarian cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80096 Z80096 CHEMBL614559 CHO-TAX 5-6 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80097 Z80097 CHEMBL614560 CHO-VV 3-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80120 Z80120 CHEMBL614285 DLD-1 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125 Z80125 CHEMBL613508 DU-145 (Prostate carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164 Z80164 CHEMBL614580 HT-1080 (Fibrosarcoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80269 Z80269 CHEMBL614354 MKN-45 (Gastric adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80354 Z80354 CHEMBL614213 OVCAR-3 (Ovarian adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362 Z80362 CHEMBL389 P388 (Lymphoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414 Z80414 CHEMBL614628 Raji (B-lymphoblastic cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80427 Z80427 CHEMBL614879 RKO (Colon carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80466 Z80466 CHEMBL614907 SF268 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80475 Z80475 CHEMBL613834 SK-BR-3 (Breast adenocarcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493 Z80493 CHEMBL614925 SK-OV-3 (Ovarian carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80526 Z80526 CHEMBL612544 SW480 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80566 Z80566 CHEMBL612794 U-937 (Histiocytic lymphoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80608 Z80608 CHEMBL614393 ZR-75-1 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80711 Z80711 CHEMBL613829 NCI/ADR-RES (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712 Z80712 CHEMBL614361 T47D (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80720 Z80720 CHEMBL614365 Burkitts lymphoma cells 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80819 Z80819 CHEMBL614484 J774.2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80852 Z80852 CHEMBL614069 A-431 (Epidermoid carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024 Z81024 CHEMBL396 NCI-H460 (Non-small cell lung carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81054 Z81054 CHEMBL613977 SF-268 (Glioblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute leukemic T-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170 Z81170 CHEMBL612518 LNCaP (Prostate carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81244 Z81244 CHEMBL614123 J774 (Macrophage cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81245 Z81245 CHEMBL614697 MDA-MB-435 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81281 Z81281 CHEMBL614997 NCI-H23 (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
Z81331 Z81331 CHEMBL612262 SW-620 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase