Reaction Details Report a problem with these data
Target
Sterol 26-hydroxylase, mitochondrial
Ligand
BDBM50556038
Substrate
n/a
Meas. Tech.
ChEMBL_2054770 (CHEMBL4709771)
IC50
>1000±n/a nM
Citation
 Mäder, P; Kattner, L Sulfoximines as Rising Stars in Modern Drug Discovery? Current Status and Perspective on an Emerging Functional Group in Medicinal Chemistry. J Med Chem 63:14243-14275 (2020) [PubMed]  Article 
Target
Name:
Sterol 26-hydroxylase, mitochondrial
Synonyms:
CP27A_HUMAN | CYP27 | CYP27A1
Type:
PROTEIN
Mol. Mass.:
60250.67
Organism:
Homo sapiens (Human)
Description:
ChEMBL_430507
Residue:
531
Sequence:
MAALGCARLRWALRGAGRGLCPHGARAKAAIPAALPSDKATGAPGAGPGVRRRQRSLEEIPRLGQLRFFFQLFVQGYALQLHQLQVLYKAKYGPMWMSYLGPQMHVNLASAPLLEQVMRQEGKYPVRNDMELWKEHRDQHDLTYGPFTTEGHHWYQLRQALNQRLLKPAEAALYTDAFNEVIDDFMTRLDQLRAESASGNQVSDMAQLFYYFALEAICYILFEKRIGCLQRSIPEDTVTFVRSIGLMFQNSLYATFLPKWTRPVLPFWKRYLDGWNAIFSFGKKLIDEKLEDMEAQLQAAGPDGIQVSGYLHFLLASGQLSPREAMGSLPELLMAGVDTTSNTLTWALYHLSKDPEIQEALHEEVVGVVPAGQVPQHKDFAHMPLLKAVLKETLRLYPVVPTNSRIIEKEIEVDGFLFPKNTQFVFCHYVVSRDPTAFSEPESFQPHRWLRNSQPATPRIQHPFGSVPFGYGVRACLGRRIAELEMQLLLARLIQKYKVVLAPETGELKSVARIVLVPNKKVGLQFLQRQC
  
Inhibitor
Name:
BDBM50556038
Synonyms:
CHEMBL389014
Type:
Small organic molecule
Emp. Form.:
C29H41NO3S
Mol. Mass.:
483.706
SMILES:
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCS(=N)(=O)c1ccccc1 |r|
Structure:
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