BIOPEP-UWM: Report

ID 9433
Name Renin inhibitor
sequence
YA
Function:
Inhibitor of Renin (EC 3.4.23.15) (MEROPS ID A01.007)
 
Number of residues
2
Activity code
ren
Activity :
renin inhibitor
Chemical mass 252.2658 Monoisotopic mass 252.1106
IC50 :
0.00 µM


Bibliographic data:
Authors
Udenigwe C.; Li H.; Aluko R.
Title
Quantitative structure-activity relationship modeling of renin-inhibiting dipeptides. Amino Acids, 42, 1379–1386, 2012
Year Source
2012 Journal


Additional information:
BIOPEP-UWM database of bioactive peptides


SMILES: N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(C)C(=O)O

InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1

InChIKey: NLKUJNGEGZDXGO-XVKPBYJWSA-N


Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database, the BindingDB; BIOPEP-UWM database of bioactive peptides (ID 7589), the BRENDA database, the ChEMBL database
Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8932)
Inhibitor of Alanine carboxypeptidase (EC 3.4.17.6) (MEROPS ID: M9E.002) according to the BRENDA database
Inhibitor of Tubulin-tyrosine ligase (EC 6.3.2.25) according to the BRENDA database


Database reference:
AHTPDB: ID 3228, 3547, 3831, 4052, 4433, 4537, 4681, 6575

BindingDB: ID 50169129

BioCyc: ID CPD-20389

BioPepDB: ID biopep01546

BIOPEP-UWM database of bioactive peptides: ID 7589, 8932

BRENDA: Ligand Tyr-Ala

ChEBI: ID 74879

ChEMBL: ID CHEMBL316103

ChemDB: ID 192304, 192311

ChemSpider: ID 4593326

J-GLOBAL: ID 200907038195226293

Metabolights: ID MTBLC74879

Nikkaji: ID J150.477K

PubChem: CID 7020632

SATPdb: ID satpdb10716

SDBS: ID 9370

SureChEMBL: ID SCHEMBL238988

ZINC: ID ZINC000002566273