Reaction Details
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Cytochrome P450 1A2
Ligand
BDBM50019657
Substrate
n/a
Meas. Tech.
ChEMBL_1361155 (CHEMBL3292129)
IC50
>50000±n/a nM
Citation
Shirude, PS; Shandil, RK; Manjunatha, MR; Sadler, C; Panda, M; Panduga, V; Reddy, J; Saralaya, R; Nanduri, R; Ambady, A; Ravishankar, S; Sambandamurthy, VK; Humnabadkar, V; Jena, LK; Suresh, RS; Srivastava, A; Prabhakar, KR; Whiteaker, J; McLaughlin, RE; Sharma, S; Cooper, CB; Mdluli, K; Butler, S; Iyer, PS; Narayanan, S; Chatterji, M Lead optimization of 1,4-azaindoles as antimycobacterial agents. J Med Chem 57:5728-37 (2014) [PubMed] Article More Info.:
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:
BDBM50019657
Synonyms:
CHEMBL3291424
Type:
Small organic molecule
Emp. Form.:
C18H19F2N5O3
Mol. Mass.:
391.372
SMILES:
Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO
Structure:
