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Target
Cytochrome P450 1A2
Ligand
BDBM55093
Substrate
n/a
Meas. Tech.
ChEMBL_788860 (CHEMBL1924930)
IC50
>30000±n/a nM
Citation
 Jones, CK; Engers, DW; Thompson, AD; Field, JR; Blobaum, AL; Lindsley, SR; Zhou, Y; Gogliotti, RD; Jadhav, S; Zamorano, R; Bogenpohl, J; Smith, Y; Morrison, R; Daniels, JS; Weaver, CD; Conn, PJ; Lindsley, CW; Niswender, CM; Hopkins, CR Discovery, synthesis, and structure-activity relationship development of a series of N-4-(2,5-dioxopyrrolidin-1-yl)phenylpicolinamides (VU0400195, ML182): characterization of a novel positive allosteric modulator of the metabotropic glutamate receptor 4 (mGlu(4)) with oral efficacy in an antiparkin J Med Chem 54:7639-47 (2011) [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:
BDBM55093
Synonyms:
N-[3-chloro-4-(1,3-diketo-2-azaspiro[4.5]decan-2-yl)phenyl]picolinamide | N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]-2-pyridinecarboxamide | N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide | N-[4-[1,3-bis(oxidanylidene)-2-azaspiro[4.5]decan-2-yl]-3-chloranyl-phenyl]pyridine-2-carboxamide | VU0400193-3 | cid_46869951
Type:
Small organic molecule
Emp. Form.:
C21H20ClN3O3
Mol. Mass.:
397.855
SMILES:
Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O
Structure:
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