UCSF

Scientific Exchange Building Blocks

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

Binding 10μM Targets with Highest Number of Available Compounds (50 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
5HT1B-1-E Serotonin 1b (5-HT1b) receptor (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D-1-E Serotonin 1d (5-HT1d) receptor (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
A3EZI9-1-V Hepatitis C virus NS3 protease/helicase (cluster #1 of 3) Viruses 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A-2-E Serotonin 2a (5-HT2a) receptor (cluster #2 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B-3-E Serotonin 2b (5-HT2b) receptor (cluster #3 of 4) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C-3-E Serotonin 2c (5-HT2c) receptor (cluster #3 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A-1-E Serotonin 1a (5-HT1a) receptor (cluster #1 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1A-3-E Serotonin 1a (5-HT1a) receptor (cluster #3 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1F-1-E Serotonin 1f (5-HT1f) receptor (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1F-2-E Serotonin 1f (5-HT1f) receptor (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1C1-1-E Aldo-keto reductase family 1 member C1 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1C2-1-E Aldo-keto reductase family 1 member C2 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS1-4-E Nitric-oxide synthase, brain (cluster #4 of 7) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDK1-3-E Pyruvate dehydrogenase kinase isoform 1 (cluster #3 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDK2-1-E Pyruvate dehydrogenase kinase isoform 2 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PNMT-1-E Phenylethanolamine N-methyltransferase (cluster #1 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1-1-E Sigma opioid receptor (cluster #1 of 6) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104302-4-O Glutamate NMDA receptor (cluster #4 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104304-1-O Adrenergic receptor alpha-1 (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT6R-2-E Serotonin 6 (5-HT6) receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
A4-2-E Beta amyloid A4 protein (cluster #2 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA7-1-E Neuronal acetylcholine receptor protein alpha-7 subunit (cluster #1 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB4-6-E Neuronal acetylcholine receptor subunit beta-4 (cluster #6 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A-3-E Alpha-2a adrenergic receptor (cluster #3 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B-3-E Alpha-2b adrenergic receptor (cluster #3 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C-3-E Alpha-2c adrenergic receptor (cluster #3 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AK1C3-1-E Aldo-keto-reductase family 1 member C3 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CDK2-1-E Cyclin-dependent kinase 2 (cluster #1 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHK2-1-E Serine/threonine-protein kinase Chk2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-11-E Dopamine D2 receptor (cluster #11 of 24) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-3-E Dopamine D2 receptor (cluster #3 of 24) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRTS-1-E Bifunctional dihydrofolate reductase-thymidylate synthase (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1-1-E Estrogen receptor alpha (cluster #1 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2-2-E HM74 nicotinic acid GPCR (cluster #2 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC1-1-E Histone deacetylase 1 (cluster #1 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC2-1-E Histone deacetylase 2 (cluster #1 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HDAC3-1-E Histone deacetylase 3 (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LEF-2-B Anthrax lethal factor (cluster #2 of 2) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LUCI-1-E Luciferin 4-monooxygenase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1-3-E Glutamate (NMDA) receptor subunit zeta 1 (cluster #3 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS2-1-E Nitric oxide synthase, inducible (cluster #1 of 9) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS2-9-E Nitric oxide synthase, inducible (cluster #9 of 9) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NOS3-7-E Nitric oxide synthase, endothelial (cluster #7 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRB-1-E Platelet-derived growth factor receptor beta (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PNPH-1-E Purine-nucleoside phosphorylase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PTR1-1-E Pteridine reductase 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q6RY99-1-E Gamma-hydroxybutyrate receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9AQH7-1-B DnaC helicase (cluster #1 of 1) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3-2-E Dopamine transporter (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104290-1-O Neuronal acetylcholine receptor; alpha4/beta2 (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase