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Target
Cytochrome P450 1A2
Ligand
BDBM50499995
Substrate
n/a
Meas. Tech.
ChEMBL_1541288 (CHEMBL3742594)
IC50
>100000±n/a nM
Citation
 Landge, S; Mullick, AB; Nagalapur, K; Neres, J; Subbulakshmi, V; Murugan, K; Ghosh, A; Sadler, C; Fellows, MD; Humnabadkar, V; Mahadevaswamy, J; Vachaspati, P; Sharma, S; Kaur, P; Mallya, M; Rudrapatna, S; Awasthy, D; Sambandamurthy, VK; Pojer, F; Cole, ST; Balganesh, TS; Ugarkar, BG; Balasubramanian, V; Bandodkar, BS; Panda, M; Ramachandran, V Discovery of benzothiazoles as antimycobacterial agents: Synthesis, structure-activity relationships and binding studies with Mycobacterium tuberculosis decaprenylphosphoryl-?-D-ribose 2'-oxidase. Bioorg Med Chem 23:7694-710 (2015) [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:
BDBM50499995
Synonyms:
CHEMBL3739831
Type:
Small organic molecule
Emp. Form.:
C17H15F3N4O4S
Mol. Mass.:
428.386
SMILES:
Cc1c(cc2nc(sc2c1[N+]([O-])=O)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:15|
Structure:
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