Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 11B2 (CYP11B2)
LigandBDBM336828
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 33.0±n/a nM
Citation Hornberger, KRMeyers, KMNemoto, PASurprenant, SYu, H Aldosterone synthase inhibitors US Patent US9745289 Publication Date 8/29/2017
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 11B2 (CYP11B2)
Name:Cytochrome P450 11B2 (CYP11B2)
Synonyms:Aldosterone Synthase (CYP11B2) | Aldosterone synthase | Aldosterone-synthesizing enzyme | CYPXIB2 | Cytochrome P450 11B2 | 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:
MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQG
YEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYR
QHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNA
RGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFM
PRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELS
LEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATT
ELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRP
ERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQED
IKMVYSFILRPGTSPLLTFRAIN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM336828
NameBDBM336828
Synonyms:US9745289, Compound 3A | US9745289, Compound 3B
TypeSmall organic molecule
Emp. Form.C19H21N3O5S
Mol. Mass.403.452
SMILESNC(=O)c1cccc2OC(COc12)c1cncc(CN2CCCCS2(=O)=O)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a