UCSF

IBScreen NP (Depleted)

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

Binding 10μM Targets with Highest Number of Available Compounds (42 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
KCNH2_HUMAN Q12809 CHEMBL240 HERG 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
6PGD_HUMAN P52209 CHEMBL3404 6-phosphogluconate dehydrogenase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
BACE1_HUMAN P56817 CHEMBL4822 Beta-secretase 1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
G6PD_YEAST P11412 CHEMBL1075249 Glucose-6-phosphate 1-dehydrogenase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MET_HUMAN P08581 CHEMBL3717 Hepatocyte growth factor receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP2_HUMAN P08253 CHEMBL333 Matrix metalloproteinase-2 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q965D5_PLAFA Q965D5 CHEMBL4150 Enoyl-acyl-carrier protein reductase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q965D6_PLAFA Q965D6 CHEMBL4513 3-oxoacyl-acyl-carrier protein reductase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q965D7_PLAFA Q965D7 CHEMBL4512 Fatty acid synthase 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
A3EZI9_9HEPC A3EZI9 CHEMBL4893 Hepatitis C virus NS3 protease/helicase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_BOVIN P23795 CHEMBL4768 Acetylcholinesterase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_ELEEL O42275 CHEMBL4078 Acetylcholinesterase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_HUMAN P22303 CHEMBL220 Acetylcholinesterase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_RAT P37136 CHEMBL3199 Acetylcholinesterase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES_TORCA P04058 CHEMBL4780 Acetylcholinesterase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AURKA_HUMAN O14965 CHEMBL4722 Serine/threonine-protein kinase Aurora-A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCL2_HUMAN P10415 CHEMBL4860 Apoptosis regulator Bcl-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2_HUMAN P14416 CHEMBL217 Dopamine D2 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4_HUMAN P21917 CHEMBL219 Dopamine D4 receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERG1_RAT P52020 CHEMBL4241 Squalene monooxygenase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GLRA1_HUMAN P23415 CHEMBL5845 Glycine receptor subunit alpha-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GLRA2_HUMAN P23416 CHEMBL5871 Glycine receptor subunit alpha-2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HSF1_HUMAN Q00613 CHEMBL5869 Heat shock factor protein 1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LMBL3_HUMAN Q96JM7 CHEMBL1287623 Lethal(3)malignant brain tumor-like protein 3 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MK14_HUMAN Q16539 CHEMBL260 MAP kinase p38 alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MMP14_HUMAN P50281 CHEMBL3869 Matrix metalloproteinase 14 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72547_9HIV1 Q72547 CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q7ZJM1_9HIV1 Q7ZJM1 CHEMBL3471 Human immunodeficiency virus type 1 integrase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARA_HUMAN P10276 CHEMBL2055 Retinoic acid receptor alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARA_MOUSE P11416 CHEMBL2792 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
RARB_MOUSE P22605 CHEMBL3266 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
RARG_MOUSE P18911 CHEMBL4177 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
RXRA_MOUSE P28700 CHEMBL3084 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
RXRG_MOUSE P28705 CHEMBL4402 Retinoid X receptor gamma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP2A_HUMAN P11388 CHEMBL1806 DNA topoisomerase II alpha 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643 Z50643 CHEMBL379 Hepatitis C virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase