Reaction Details Report a problem with these data
Target
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
Ligand
BDBM151585
Substrate
n/a
Meas. Tech.
ChEMBL_1696162 (CHEMBL4047052)
IC50
500±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:
BDBM151585
Synonyms:
US11739089, Compound Ketoconazole | US8987315, Ketoconazole | US9180183, Ketoconazole | US9271963, Ketoconazole | US9394290, KTZ (ketoconazole) | US9963439, Ketoconazole
Type:
Small organic molecule
Emp. Form.:
C26H28Cl2N4O4
Mol. Mass.:
531.431
SMILES:
CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Structure:
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