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Target
Cytochrome P450 2D6
Ligand
BDBM50302545
Substrate
n/a
Meas. Tech.
ChEMBL_597667 (CHEMBL1039966)
IC50
4800±n/a nM
Citation
 Wang, T; Yin, Z; Zhang, Z; Bender, JA; Yang, Z; Johnson, G; Yang, Z; Zadjura, LM; D'Arienzo, CJ; DiGiugno Parker, D; Gesenberg, C; Yamanaka, GA; Gong, YF; Ho, HT; Fang, H; Zhou, N; McAuliffe, BV; Eggers, BJ; Fan, L; Nowicka-Sans, B; Dicker, IB; Gao, Q; Colonno, RJ; Lin, PF; Meanwell, NA; Kadow, JF Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity J Med Chem 52:7778-87 (2009) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50302545
Synonyms:
(R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-indol-3-yl)-ethane-1,2-dione | CHEMBL567570
Type:
Small organic molecule
Emp. Form.:
C22H21N3O3
Mol. Mass.:
375.4204
SMILES:
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r|
Structure:
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