Reaction Details Report a problem with these data
Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM280275
Substrate
n/a
Meas. Tech.
Inhibitory Effect on hCYP11B2
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
18.0±n/a nM
Comments
extracted
Citation
 Ushirogochi, H; Sasaki, W; Onda, Y; Sakakibara, R; Akahoshi, F Disubstituted 1, 2, 4-triazine compound US Patent  US10029993 Publication Date 7/24/2018 
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:
BDBM280275
Synonyms:
US10029993, Example 29
Type:
Small organic molecule
Emp. Form.:
C24H35N7O
Mol. Mass.:
437.581
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccccc1C |r,wU:3.2,wD:6.9,(14.38,-.87,;13.05,-.1,;13.05,1.44,;11.71,-.87,;11.71,-2.41,;10.38,-3.18,;9.05,-2.41,;9.05,-.87,;10.38,-.1,;7.71,-3.18,;6.38,-2.41,;6.38,-.87,;5.04,-3.18,;3.71,-2.41,;2.38,-3.18,;1.04,-2.41,;1.04,-.87,;2.38,-.1,;3.71,-.87,;-.29,-.1,;-.29,1.44,;-1.62,2.21,;-2.96,1.44,;-2.96,-.1,;-1.62,-.87,;-4.29,-.87,;-4.29,-2.41,;-5.63,-3.18,;-6.96,-2.41,;-6.96,-.87,;-5.62,-.1,;-5.62,1.44,)|
Structure:
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