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Target
Cytochrome P450 1A2
Ligand
BDBM50285941
Substrate
n/a
Meas. Tech.
ChEMBL_1728879 (CHEMBL4144157)
IC50
>50000±n/a nM
Citation
 Han, S; Thoresen, L; Jung, JK; Zhu, X; Thatte, J; Solomon, M; Gaidarov, I; Unett, DJ; Yoon, WH; Barden, J; Sadeque, A; Usmani, A; Chen, C; Semple, G; Grottick, AJ; Al-Shamma, H; Christopher, R; Jones, RM Discovery of APD371: Identification of a Highly Potent and Selective CB ACS Med Chem Lett 8:1309-1313 (2017) [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:
BDBM50285941
Synonyms:
APD-371 | Olorinab
Type:
Small organic molecule
Emp. Form.:
C18H23N5O3
Mol. Mass.:
357.4069
SMILES:
[H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CO)C(C)(C)C |r|
Structure:
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