UCSF

IBScreen NP (Depleted)

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

Binding 10μM Targets with Highest Number of Available Compounds (32 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
BACE1-2-E Beta-secretase 1 (cluster #2 of 4) 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
MMP2-2-E 72 kDa type IV collagenase (cluster #2 of 3) 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
A3EZI9-1-V Hepatitis C virus NS3 protease/helicase (cluster #1 of 3) Viruses 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES-1-E Acetylcholinesterase (cluster #1 of 12) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AURKA-1-E Serine/threonine-protein kinase Aurora-A (cluster #1 of 3) 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
DRD2-2-E Dopamine D2 receptor (cluster #2 of 24) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4-2-E Dopamine D4 receptor (cluster #2 of 4) 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
GLRA1-1-E Glycine receptor subunit alpha-1 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GLRA2-1-E Glycine receptor subunit alpha-2 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HSF1-2-E Heat shock factor protein 1 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LMBL3-1-E Lethal(3)malignant brain tumor-like protein 3 (cluster #1 of 1) 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
Q72547-1-V Human immunodeficiency virus type 1 reverse transcriptase (cluster #1 of 6) Viruses 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q7ZJM1-1-V Human immunodeficiency virus type 1 integrase (cluster #1 of 6) Viruses 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARA-1-E Retinoic acid receptor alpha (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARB-2-E Retinoic acid receptor beta (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARG-2-E Retinoic acid receptor gamma (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRA-1-E Retinoid X receptor alpha (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRB-2-E Retinoid X receptor beta (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRG-1-E Retinoid X receptor gamma (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP2A-1-E DNA topoisomerase II alpha (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643-2-O Hepatitis C virus (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase