HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q14534 | ERG1_HUMAN | Squalene monooxygenase (SQLE)

3D structures mapped by conservation among orthologs

[ Domain: "FAD/NAD(P)-binding domain" // FAD_binding_3_1st ]

download pymol session

[ Domain: "FAD-linked reductases-C" // UNK_F_TYPE ]

download pymol session



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL15929 OBDepict CH 3 N O Si H 3 C CH 3 H 3 C CH 3 CH 3 N IC50 = 20.0 nM 444.7 CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C#N)cc2)c1 Homo sapiens CHEMBL809120 assay format
CHEMBL822 OBDepict CH 3 N H 3 C CH 3 H 3 C Ki = 30.0 nM 291.44 CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12 Homo sapiens CHEMBL806128 single protein format
CHEMBL108692 OBDepict CH 3 N O Si H 3 C CH 3 H 3 C CH 3 CH 3 CH 3 IC50 = 30.0 nM 433.71 CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1 Homo sapiens CHEMBL809118 assay format
CHEMBL281025 OBDepict CH 3 N O CH 3 CH 3 CH 3 N S CH 3 O O S IC50 = 50.0 nM 474.69 CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccs2)c1 Homo sapiens CHEMBL809127 cell-based format
CHEMBL16178 OBDepict H 3 C N O S S IC50 = 100.0 nM 443.64 CCN(CC#Cc1ccccc1)Cc1cccc(OCc2cc(-c3ccsc3)cs2)c1 Homo sapiens CHEMBL809120 assay format
CHEMBL434507 OBDepict CH 3 N N H Si H 3 C CH 3 H 3 C CH 3 CH 3 CH 3 IC50 = 100.0 nM 432.73 CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(NC[Si](C)(C)c2ccccc2C)c1 Homo sapiens CHEMBL809118 assay format
CHEMBL267332 OBDepict _ N + N N N H 3 C O S S IC50 = 270.0 nM 484.65 CCN(CC#Cc1cccc(N=[N+]=[N-])c1)Cc1cccc(OCc2cc(-c3ccsc3)cs2)c1 Homo sapiens CHEMBL809120 assay format
CHEMBL16004 OBDepict _ N + N N Si CH 3 CH 3 O N CH 3 CH 3 H 3 C CH 3 IC50 = 520.0 nM 460.7 CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(N=[N+]=[N-])cc2)c1 Homo sapiens CHEMBL809120 assay format
CHEMBL16120 OBDepict _ N + N N N CH 3 O S S IC50 = 960.0 nM 484.65 CCN(CC#Cc1ccc(N=[N+]=[N-])cc1)Cc1cccc(OCc2cc(-c3ccsc3)cs2)c1 Homo sapiens CHEMBL809120 assay format