UCSF

Focus Synthesis BB

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

Functional 10μM Targets with Highest Number of Available Compounds (71 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
Z50587 Z50587 CHEMBL372 Homo sapiens 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_HUMAN Q96RJ0 CHEMBL5857 Trace amine-associated receptor 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380 Z50380 CHEMBL613088 Mycobacterium smegmatis 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592 Z50592 CHEMBL374 Oryctolagus cuniculus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80475 Z80475 CHEMBL613834 SK-BR-3 (Breast adenocarcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute leukemic T-cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR_HUMAN P00533 CHEMBL203 Epidermal growth factor receptor erbB1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB2_HUMAN P04626 CHEMBL1824 Receptor protein-tyrosine kinase erbB-2 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
RXRA_HUMAN P19793 CHEMBL2061 Retinoid X receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRB_HUMAN P28702 CHEMBL1870 Retinoid X receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRB_MOUSE P28704 CHEMBL4047 Retinoid X receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRG_HUMAN P48443 CHEMBL2004 Retinoid X receptor gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101767 Z101767 CHEMBL613966 Dengue virus 2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103205 Z103205 CHEMBL1075390 A431 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103348 Z103348 CHEMBL1075533 NCI-H2122 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50212 Z50212 CHEMBL354 Escherichia coli 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50442 Z50442 CHEMBL366 Candida albicans 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50472 Z50472 CHEMBL612888 Toxoplasma gondii 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512 Z50512 CHEMBL369 Cavia porcellus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594 Z50594 CHEMBL375 Mus musculus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50599 Z50599 CHEMBL612672 Cowpox virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607 Z50607 CHEMBL378 Human immunodeficiency virus 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50641 Z50641 CHEMBL613730 West Nile virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50678 Z50678 CHEMBL612679 Respiratory syncytial virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50759 Z50759 CHEMBL612373 Dictyostelium discoideum 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80018 Z80018 CHEMBL613859 A-375 (Malignant melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80040 Z80040 CHEMBL614527 BHK-21 (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064 Z80064 CHEMBL382 CCRF-CEM (T-cell leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125 Z80125 CHEMBL613508 DU-145 (Prostate carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80138 Z80138 CHEMBL614036 G-361 (Melanoma cells) 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
Z80211 Z80211 CHEMBL614721 LoVo (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80254 Z80254 CHEMBL614343 MES-SA (Uterine sarcoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80255 Z80255 CHEMBL613827 MES-SA/DxS (Uterine sarcoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80269 Z80269 CHEMBL614354 MKN-45 (Gastric adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80322 Z80322 CHEMBL614135 NCI-H358 (Lung carcinama 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
Z80364 Z80364 CHEMBL614218 P388/ADR (Lymphoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80401 Z80401 CHEMBL614241 PSN1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80433 Z80433 CHEMBL614882 RPMI-8226 (Multiple myeloma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80463 Z80463 CHEMBL614904 SCOV-3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493 Z80493 CHEMBL614925 SK-OV-3 (Ovarian carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80601 Z80601 CHEMBL614060 XRS6 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80768 Z80768 CHEMBL614455 CH1 (Ovarian 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
Z80954 Z80954 CHEMBL614071 HFF (Foreskin fibroblasts) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81017 Z81017 CHEMBL614647 WiDr (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034 Z81034 CHEMBL614004 A2780 (Ovarian carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81043 Z81043 CHEMBL613969 N592 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical vein endothelial cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81245 Z81245 CHEMBL614697 MDA-MB-435 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81261 Z81261 CHEMBL614127 UACC-375 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81341 Z81341 CHEMBL614310 Tumor cell lines 1 Annotations Catalogs SMILES SDF Mol2 Flexibase