Reaction Details  Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50457703
Substrate
n/a
Meas. Tech.
ChEMBL_1760536 (CHEMBL4195544)
IC50
>10000±n/a nM
Citation
 Santora, VJ; Almos, TA; Barido, R; Basinger, J; Bellows, CL; Bookser, BC; Breitenbucher, JG; Broadbent, NJ; Cabebe, C; Chai, CK; Chen, M; Chow, S; Chung, M; Crickard, L; Danks, AM; Freestone, GC; Gitnick, D; Gupta, V; Hoffmaster, C; Hudson, AR; Kaplan, AP; Kennedy, MR; Lee, D; Limberis, J; Ly, K; Mak, CC; Masatsugu, B; Morse, AC; Na, J; Neul, D; Nikpur, J; Peters, M; Petroski, RE; Renick, J; Sebring, K; Sevidal, S; Tabatabaei, A; Wen, J; Yan, Y; Yoder, ZW; Zook, D Design and Synthesis of Novel and Selective Glycine Transporter-1 (GlyT1) Inhibitors with Memory Enhancing Properties. J Med Chem 61:6018-6033 (2018) [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:
BDBM50457703
Synonyms:
CHEMBL4214250
Type:
Small organic molecule
Emp. Form.:
C24H18F2N4O3S
Mol. Mass.:
480.487
SMILES:
CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
Structure:
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