Reaction Details
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Cytochrome P450 1A2
Ligand
BDBM50565928
Substrate
n/a
Meas. Tech.
ChEMBL_2094139 (CHEMBL4775402)
IC50
>30000±n/a nM
Citation
Gopalsamy, A; Aulabaugh, AE; Barakat, A; Beaumont, KC; Cabral, S; Canterbury, DP; Casimiro-Garcia, A; Chang, JS; Chen, MZ; Choi, C; Dow, RL; Fadeyi, OO; Feng, X; France, SP; Howard, RM; Janz, JM; Jasti, J; Jasuja, R; Jones, LH; King-Ahmad, A; Knee, KM; Kohrt, JT; Limberakis, C; Liras, S; Martinez, CA; McClure, KF; Narayanan, A; Narula, J; Novak, JJ; O'Connell, TN; Parikh, MD; Piotrowski, DW; Plotnikova, O; Robinson, RP; Sahasrabudhe, PV; Sharma, R; Thuma, BA; Vasa, D; Wei, L; Wenzel, AZ; Withka, JM; Xiao, J; Yayla, HG PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J Med Chem 64:326-342 (2021) [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:
BDBM50565928
Synonyms:
CHEMBL4785484
Type:
Small organic molecule
Emp. Form.:
C21H16F2N4O3
Mol. Mass.:
410.3735
SMILES:
C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
Structure:
