UCSF

Specs NP (Depleted)

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

Binding 10μM Targets with Highest Number of Available Compounds (26 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
KCNH2-1-E HERG (cluster #1 of 5) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
6PGD-1-E 6-phosphogluconate dehydrogenase (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R-3-E Adenosine A1 receptor (cluster #3 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R-3-E Adenosine receptor A3 (cluster #3 of 6) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
BACE1-2-E Beta-secretase 1 (cluster #2 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1B1-1-E Cytochrome P450 1B1 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
G6PD-1-F Glucose-6-phosphate 1-dehydrogenase (cluster #1 of 1) Fungi 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MET-1-E Hepatocyte growth factor receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q965D5-1-E Enoyl-acyl-carrier protein reductase (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q965D6-1-E 3-oxoacyl-acyl-carrier protein reductase (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q965D7-2-E Fatty acid synthase (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT7R-1-E Serotonin 7 (5-HT7) receptor (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AL1A7-1-E Aldehyde dehydrogenase, cytosolic 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALDR-1-E Aldose reductase (cluster #1 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCL2-1-E Apoptosis regulator Bcl-2 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHLE-6-E Butyrylcholinesterase (cluster #6 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERG1-3-E Squalene monooxygenase (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERG2-1-F C-8 sterol isomerase (cluster #1 of 2) Fungi 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LCK-3-E Tyrosine-protein kinase LCK (cluster #3 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14-2-E MAP kinase p38 alpha (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP14-1-E Matrix metalloproteinase 14 (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP2-2-E 72 kDa type IV collagenase (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MRP1-1-E Multidrug resistance-associated protein 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72547-1-V Human immunodeficiency virus type 1 reverse transcriptase (cluster #1 of 6) Viruses 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SGMR1-3-E Sigma opioid receptor (cluster #3 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
XIAP-2-E Inhibitor of apoptosis protein 3 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase