Reaction Details Report a problem with these data
Target
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
Ligand
BDBM50322358
Substrate
n/a
Meas. Tech.
ChEMBL_1696160 (CHEMBL4047050)
IC50
15±n/a nM
Citation
 Taban, IM; Zhu, J; DeLuca, HF; Simons, C Analysis of the binding sites of vitamin D 1?-hydroxylase (CYP27B1) and vitamin D 24-hydroxylase (CYP24A1) for the design of selective CYP24A1 inhibitors: Homology modelling, molecular dynamics simulations and identification of key binding requirements. Bioorg Med Chem 25:5629-5636 (2017) [PubMed]  Article 
Target
Name:
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
Synonyms:
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | CP24A_HUMAN | CYP24 | CYP24A1 | Cytochrome P450 24A1
Type:
Protein
Mol. Mass.:
58889.66
Organism:
Homo sapiens (Human)
Description:
Q07973
Residue:
514
Sequence:
MSSPISKSRSLAAFLQQLRSPRQPPRLVTSTAYTSPQPREVPVCPLTAGGETQNAAALPGPTSWPLLGSLLQILWKGGLKKQHDTLVEYHKKYGKIFRMKLGSFESVHLGSPCLLEALYRTESAYPQRLEIKPWKAYRDYRKEGYGLLILEGEDWQRVRSAFQKKLMKPGEVMKLDNKINEVLADFMGRIDELCDERGHVEDLYSELNKWSFESICLVLYEKRFGLLQKNAGDEAVNFIMAIKTMMSTFGRMMVTPVELHKSLNTKVWQDHTLAWDTIFKSVKACIDNRLEKYSQQPSADFLCDIYHQNRLSKKELYAAVTELQLAAVETTANSLMWILYNLSRNPQVQQKLLKEIQSVLPENQVPRAEDLRNMPYLKACLKESMRLTPSVPFTTRTLDKATVLGEYALPKGTVLMLNTQVLGSSEDNFEDSSQFRPERWLQEKEKINPFAHLPFGVGKRMCIGRRLAELQLHLALCWIVRKYDIQATDNEPVEMLHSGTLVPSRELPIAFCQR
  
Inhibitor
Name:
BDBM50322358
Synonyms:
4'-Chloro-biphenyl-4-carboxylic acid((R)-2-imidazol-1-yl-2-phenyl-ethyl)-amide | CHEMBL1170908
Type:
Small organic molecule
Emp. Form.:
C24H20ClN3O
Mol. Mass.:
401.888
SMILES:
Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC[C@@H](c1ccccc1)n1ccnc1 |r|
Structure:
Search PDB for entries with ligand similarity: