Reaction Details Report a problem with these data
Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM8611
Substrate
BDBM8582
Meas. Tech.
Inhibition Assay
Temperature
310.15±n/a K
IC50
1±n/a nM
Comments
extracted
Citation
 Hartmann, R; Voets, M; Müller-Vieira, U Selective inhibitors of human corticosteroid synthases US Patent  US9271963 Publication Date 3/1/2016 
Target
Name:
Cytochrome P450 11B2, mitochondrial
Synonyms:
Aldosterone Synthase (CYP11B2) | Aldosterone synthase | Aldosterone-synthesizing enzyme | C11B2_HUMAN | CYP11B2 | CYPXIB2 | Cytochrome P450 11B2 | Cytochrome P450 11B2 (CYP11B2) | Cytochrome P450 11B2, mitochondrial | P-450Aldo | P-450C18 | Steroid 18-hydroxylase
Type:
Protein
Mol. Mass.:
57582.15
Organism:
Homo sapiens (Human)
Description:
P19099
Residue:
503
Sequence:
MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN
  
Inhibitor
Name:
BDBM8611
Synonyms:
4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonitrile | CHEMBL468419 | CHEMBL9298 | Fadrozole | US9271963, Fadrozole
Type:
Small organic molecule
Emp. Form.:
C14H13N3
Mol. Mass.:
223.2731
SMILES:
N#Cc1ccc(cc1)C1CCCc2cncn12
Structure:
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Substrate
Name:
BDBM8582
Synonyms:
(1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one | 11-deoxycorticosterone | 21-hydroxypregn-4-ene-3,20-dione | DOC | [4-14C]-11-deoxycorticosterone | deoxycorticosterone
Type:
Small organic molecule
Emp. Form.:
C21H30O3
Mol. Mass.:
330.4611
SMILES:
[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:21|
Structure:
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