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Target
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
Ligand
BDBM50261589
Substrate
n/a
Meas. Tech.
ChEBML_1696163
IC50
95±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:
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
Synonyms:
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial | CP27B_HUMAN | CYP1ALPHA | CYP27B | CYP27B1 | Cytochrome P450 27B1
Type:
Protein
Mol. Mass.:
56522.50
Organism:
Homo sapiens (Human)
Description:
O15528
Residue:
508
Sequence:
MTQTLKYASRVFHRVRWAPELGASLGYREYHSARRSLADIPGPSTPSFLAELFCKGGLSRLHELQVQGAAHFGPVWLASFGTVRTVYVAAPALVEELLRQEGPRPERCSFSPWTEHRRCRQRACGLLTAEGEEWQRLRSLLAPLLLRPQAAARYAGTLNNVVCDLVRRLRRQRGRGTGPPALVRDVAGEFYKFGLEGIAAVLLGSRLGCLEAQVPPDTETFIRAVGSVFVSTLLTMAMPHWLRHLVPGPWGRLCRDWDQMFAFAQRHVERREAEAAMRNGGQPEKDLESGAHLTHFLFREELPAQSILGNVTELLLAGVDTVSNTLSWALYELSRHPEVQTALHSEITAALSPGSSAYPSATVLSQLPLLKAVVKEVLRLYPVVPGNSRVPDKDIHVGDYIIPKNTLVTLCHYATSRDPAQFPEPNSFRPARWLGEGPTPHPFASLPFGFGKRSCMGRRLAELELQMALAQILTHFEVQPEPGAAPVRPKTRTVLVPERSINLQFLDR
  
Inhibitor
Name:
BDBM50261589
Synonyms:
CHEMBL4081152
Type:
Small organic molecule
Emp. Form.:
C23H22Cl2N4O2S
Mol. Mass.:
489.417
SMILES:
CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(Cn1ccnc1)c1ccc(Cl)cc1Cl
Structure:
Search PDB for entries with ligand similarity: