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Target
Cytochrome P450 1A2
Ligand
BDBM50597430
Substrate
n/a
Meas. Tech.
ChEMBL_2223412 (CHEMBL5136746)
IC50
>100000±n/a nM
Citation
 Hill, MD; Blanco, MJ; Salituro, FG; Bai, Z; Beckley, JT; Ackley, MA; Dai, J; Doherty, JJ; Harrison, BL; Hoffmann, EC; Kazdoba, TM; Lanzetta, D; Lewis, M; Quirk, MC; Robichaud, AJ SAGE-718: A First-in-Class  J Med Chem 65:9063-9075 (2022) [PubMed] 
Target
Name:
Cytochrome P450 1A2
Synonyms:
Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 | CYPIA2 | CP1A2_HUMAN | CYP1A2
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Human
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50597430
Synonyms:
Dalzanemdor | DALZANEMDOR
Type:
Small organic molecule
Emp. Form.:
C27H43F3O2
Mol. Mass.:
456.63
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9|
Structure:
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