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Target
Renin
Ligand
BDBM17943
Substrate
Angiotensinogen
Meas. Tech.
In Vitro Renin Inhibition Assay
pH
7.2±n/a
Temperature
310.15±n/a K
IC50
0.8±n/a nM
Citation
 Rahuel, J; Rasetti, V; Maibaum, J; Rüeger, H; Göschke, R; Cohen, NC; Stutz, S; Cumin, F; Fuhrer, W; Wood, JM; Grütter, MG Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin. Chem Biol 7:493-504 (2000) [PubMed]  Article 
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_HUMAN
Type:
Enzyme
Mol. Mass.:
45058.99
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
  
Inhibitor
Name:
BDBM17943
Synonyms:
Renin nonpeptide inhibitor, 3 | methyl (3S)-1-[(5S,6S,8R)-5-amino-8-(butylcarbamoyl)-6-hydroxy-3,3,8-trimethyloctanoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C27H43N3O5
Mol. Mass.:
489.6474
SMILES:
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@H](Cc2ccccc12)C(=O)OC |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Angiotensinogen
Synonyms:
AGT | ANGT_HUMAN | SERPINA8 | Serpin A8
Type:
Other Protein Type
Mol. Mass.:
53151.55
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
485
Sequence:
MRKRAPQSEMAPAGVSLRATILCLLAWAGLAAGDRVYIHPFHLVIHNESTCEQLAKANAGKPKDPTFIPAPIQAKTSPVDEKALQDQLVLVAAKLDTEDKLRAAMVGMLANFLGFRIYGMHSELWGVVHGATVLSPTAVFGTLASLYLGALDHTADRLQAILGVPWKDKNCTSRLDAHKVLSALQAVQGLLVAQGRADSQAQLLLSTVVGVFTAPGLHLKQPFVQGLALYTPVVLPRSLDFTELDVAAEKIDRFMQAVTGWKTGCSLMGASVDSTLAFNTYVHFQGKMKGFSLLAEPQEFWVDNSTSVSVPMLSGMGTFQHWSDIQDNFSVTQVPFTESACLLLIQPHYASDLDKVEGLTFQQNSLNWMKKLSPRTIHLTMPQLVLQGSYDLQDLLAQAELPAILHTELNLQKLSNDRIRVGEVLNSIFFELEADEREPTESTQQLNKPEVLEVTLNRPFLFAVYDQSATALHFLGRVANPLSTA