Target
Cytochrome P450 1A2
Ligand
BDBM50448495
Substrate
n/a
Meas. Tech.
ChEMBL_1294678 (CHEMBL3128675)
EC50
>13000±n/a nM
Citation
 Gentles, RGDing, MBender, JABergstrom, CPGrant-Young, KHewawasam, PHudyma, TMartin, SNickel, ARegueiro-Ren, ATu, YYang, ZYeung, KSZheng, XChao, SSun, JHBeno, BRCamac, DMChang, CHGao, MMorin, PESheriff, STredup, JWan, JWitmer, MRXie, DHanumegowda, UKnipe, JMosure, KSantone, KSParker, DDZhuo, XLemm, JLiu, MPelosi, LRigat, KVoss, SWang, YWang, YKColonno, RJGao, MRoberts, SBGao, QNg, AMeanwell, NAKadow, JF Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem 57:1855-79 (2014) [PubMed]  Article 
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50448495
Synonyms:
CHEMBL3126836
Type:
Small organic molecule
Emp. Form.:
C41H47N5O5S
Mol. Mass.:
721.907
SMILES:
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C2CC1CN(Cc1ccccc1)C2)C(=O)NS(=O)(=O)N(C)C |TLB:27:29:42.34.33:31,THB:35:34:29:31|
Structure:
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