Reaction Details Report a problem with these data
Target
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
Ligand
BDBM50027700
Substrate
n/a
Meas. Tech.
ChEMBL_1435383 (CHEMBL3383457)
IC50
190±n/a nM
Citation
 Ferla, S; Gomaa, MS; Brancale, A; Zhu, J; Ochalek, JT; DeLuca, HF; Simons, C Novel styryl-indoles as small molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): Synthesis and biological evaluation. Eur J Med Chem 87:39-51 (2014) [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:
BDBM50027700
Synonyms:
CHEMBL3344395
Type:
Small organic molecule
Emp. Form.:
C25H27N3O2
Mol. Mass.:
401.5008
SMILES:
COc1cc(OC)cc(\C=C\c2cccc3n(CCCCn4ccnc4)ccc23)c1
Structure:
Search PDB for entries with ligand similarity: