Reaction Details Report a problem with these data
Target
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
Ligand
BDBM151585
Substrate
n/a
Meas. Tech.
ChEMBL_1696163 (CHEMBL4047053)
IC50
340±n/a nM
Citation
 Taban, IM; Zhu, J; DeLuca, HF; Simons, C Analysis of the binding sites of vitamin D 1α-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:
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
Synonyms:
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial | Cytochrome P450 27B1 | CP27B_HUMAN | CYP27B1 | CYP1ALPHA | CYP27B
Type:
Protein
Mol. Mass.:
56522.50
Organism:
Human
Description:
O15528
Residue:
508
Sequence:
MTQTLKYASRVFHRVRWAPELGASLGYREYHSARRSLADIPGPSTPSFLAELFCKGGLSRLHELQVQGAAHFGPVWLASFGTVRTVYVAAPALVEELLRQEGPRPERCSFSPWTEHRRCRQRACGLLTAEGEEWQRLRSLLAPLLLRPQAAARYAGTLNNVVCDLVRRLRRQRGRGTGPPALVRDVAGEFYKFGLEGIAAVLLGSRLGCLEAQVPPDTETFIRAVGSVFVSTLLTMAMPHWLRHLVPGPWGRLCRDWDQMFAFAQRHVERREAEAAMRNGGQPEKDLESGAHLTHFLFREELPAQSILGNVTELLLAGVDTVSNTLSWALYELSRHPEVQTALHSEITAALSPGSSAYPSATVLSQLPLLKAVVKEVLRLYPVVPGNSRVPDKDIHVGDYIIPKNTLVTLCHYATSRDPAQFPEPNSFRPARWLGEGPTPHPFASLPFGFGKRSCMGRRLAELELQMALAQILTHFEVQPEPGAAPVRPKTRTVLVPERSINLQFLDR
  
Inhibitor
Name:
BDBM151585
Synonyms:
US8987315, Ketoconazole | US9180183, Ketoconazole | US9271963, Ketoconazole | US9394290, KTZ (ketoconazole) | US9963439, Ketoconazole | US11739089, Compound Ketoconazole
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Structure:
Search PDB for entries with ligand similarity: