UCSF

Chemical Block BB

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

Functional 10μM Targets with Highest Number of Available Compounds (70 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
HCAR2-2-E HM74 nicotinic acid GPCR (cluster #2 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH2-1-E Histamine H2 receptor (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-3-O Plasmodium falciparum (cluster #3 of 22) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50590-1-O Sus scrofa (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-10-O Rattus norvegicus (cluster #10 of 12) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-3-O Rattus norvegicus (cluster #3 of 12) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712-4-O T47D (Breast carcinoma cells) (cluster #4 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6-2-E Metabotropic glutamate receptor 6 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1-1-E Histamine H1 receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1-2-E Histamine H1 receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3-2-E Histamine H3 receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH4-2-E Histamine H4 receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KITH-1-E Thymidine kinase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5-3-E Arachidonate 5-lipoxygenase (cluster #3 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P97706-1-E Sodium channel protein type VI alpha subunit (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1-1-E Cyclooxygenase-1 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2-1-E Cyclooxygenase-2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4-1-E Norepinephrine transporter (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3-1-E Dopamine transporter (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4-1-E Serotonin transporter (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN2A-2-E Sodium channel protein type II alpha subunit (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN5A-1-E Sodium channel protein type V alpha subunit (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TPOR-1-E Thrombopoietin receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPM8-1-E Transient receptor potential cation channel subfamily M member 8 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101821-2-O H2N2 subtype (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102222-1-O Plasma (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102352-1-O Plasma (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103176-2-O Entamoeba invadens (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104297-1-O Glutamate NMDA receptor; GRIN1/GRIN2B (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104298-1-O Glutamate NMDA receptor; GRIN1/GRIN2A (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422-2-O Entamoeba histolytica (cluster #2 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-17-O Plasmodium falciparum (cluster #17 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-6-O Plasmodium falciparum (cluster #6 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50467-3-O Trichomonas vaginalis (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468-1-O Giardia intestinalis (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-3-O Cavia porcellus (cluster #3 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-1-O Homo sapiens (cluster #1 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-3-O Homo sapiens (cluster #3 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-1-O Mus musculus (cluster #1 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-6-O Mus musculus (cluster #6 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-1-O Rattus norvegicus (cluster #1 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-12-O Rattus norvegicus (cluster #12 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50606-1-O Hepatitis B virus (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-4-O Human immunodeficiency virus 1 (cluster #4 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50641-1-O West Nile virus (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643-2-O Hepatitis C virus (cluster #2 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50677-3-O Human immunodeficiency virus (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50678-2-O Respiratory syncytial virus (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50681-1-O Duck hepatitis B virus (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50725-1-O Trypanosoma brucei rhodesiense (cluster #1 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-9-O HL-60 (Promyeloblast leukemia cells) (cluster #9 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166-4-O HT-29 (Colon adenocarcinoma cells) (cluster #4 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186-10-O K562 (Erythroleukemia cells) (cluster #10 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193-2-O L1210 (Lymphocytic leukemia cells) (cluster #2 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80211-2-O LoVo (Colon adenocarcinoma cells) (cluster #2 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-1-O MCF7 (Breast carcinoma cells) (cluster #1 of 14) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-5-O MCF7 (Breast carcinoma cells) (cluster #5 of 14) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80231-1-O MCF7S (Breast carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80255-2-O MES-SA/DxS (Uterine sarcoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80347-1-O NUGC-3 (Gastric carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362-1-O P388 (Lymphoma cells) (cluster #1 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80466-4-O SF268 (cluster #4 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80485-5-O SK-MEL-28 (Melanoma cells) (cluster #5 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493-1-O SK-OV-3 (Ovarian carcinoma cells) (cluster #1 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493-6-O SK-OV-3 (Ovarian carcinoma cells) (cluster #6 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-1-O Vero (Kidney cells) (cluster #1 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81011-1-O human cell lines (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024-8-O NCI-H460 (Non-small cell lung carcinoma) (cluster #8 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115-3-O KB (Squamous cell carcinoma) (cluster #3 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252-3-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #3 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase