Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM101415
Substrate
n/a
Meas. Tech.
Cellular Enzyme Assay
Temperature
310.15±n/a K
EC50
22±n/a nM
Comments
extracted
Citation
 Aebi, JAmrein, KChen, WHornsperger, BKuhn, BLiu, YMaerki, HPMartin, REMayweg, ATan, XWang, LZhou, M 3,4-dihydro-2H-isoquinoline-1-one and 2,3-dihydro-isoindol-1-one compounds US Patent  US9695152 Publication Date 7/4/2017 
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:
BDBM101415
Synonyms:
US9695152, 36
Type:
Small organic molecule
Emp. Form.:
C27H25ClN6O2
Mol. Mass.:
500.979
SMILES:
CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CCN(CC2)C(=O)c2ncccc2Cl)c1
Structure:
Search PDB for entries with ligand similarity: