Reaction Details Report a problem with these data
Target
Endothelin-converting enzyme 1
Ligand
BDBM50085452
Substrate
n/a
Meas. Tech.
ChEBML_64340
IC50
1500±n/a nM
Citation
 McKittrick, BA; Stamford, AW; Xiaoyu, Weng; Ke, Ma; Chackalamannil, S; Czarniecki, M; Cleven, R; Fawzi, AB Design and synthesis of phosphinic acids that triply inhibit endothelin converting enzyme, angiotensin converting enzyme and neutral endopeptidase 24.11 Bioorg Med Chem Lett 6:1629-1634 (1996)    Article 
Target
Name:
Endothelin-converting enzyme 1
Synonyms:
ECE-1 | ECE1 | ECE1_HUMAN | Endothelin-Converting Enzyme 1 | Endothelin-converting enzyme 1 (ECE1)
Type:
Enzyme
Mol. Mass.:
87155.11
Organism:
Homo sapiens (Human)
Description:
P42892
Residue:
770
Sequence:
MRGVWPPPVSALLSALGMSTYKRATLDEEDLVDSLSEGDAYPNGLQVNFHSPRSGQRCWAARTQVEKRLVVLVVLLAAGLVACLAALGIQYQTRSPSVCLSEACVSVTSSILSSMDPTVDPCHDFFSYACGGWIKANPVPDGHSRWGTFSNLWEHNQAIIKHLLENSTASVSEAERKAQVYYRACMNETRIEELRAKPLMELIERLGGWNITGPWAKDNFQDTLQVVTAHYRTSPFFSVYVSADSKNSNSNVIQVDQSGLGLPSRDYYLNKTENEKVLTGYLNYMVQLGKLLGGGDEEAIRPQMQQILDFETALANITIPQEKRRDEELIYHKVTAAELQTLAPAINWLPFLNTIFYPVEINESEPIVVYDKEYLEQISTLINTTDRCLLNNYMIWNLVRKTSSFLDQRFQDADEKFMEVMYGTKKTCLPRWKFCVSDTENNLGFALGPMFVKATFAEDSKSIATEIILEIKKAFEESLSTLKWMDEETRKSAKEKADAIYNMIGYPNFIMDPKELDKVFNDYTAVPDLYFENAMRFFNFSWRVTADQLRKAPNRDQWSMTPPMVNAYYSPTKNEIVFPAGILQAPFYTRSSPKALNFGGIGVVVGHELTHAFDDQGREYDKDGNLRPWWKNSSVEAFKRQTECMVEQYSNYSVNGEPVNGRHTLGENIADNGGLKAAYRAYQNWVKKNGAEHSLPTLGLTNNQLFFLGFAQVWCSVRTPESSHEGLITDPHSPSRFRVIGSLSNSKEFSEHFRCPPGSPMNPPHKCEVW
  
Inhibitor
Name:
BDBM50085452
Synonyms:
(S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoylamino)-methyl]-3-{1-[(S)-1-carboxy-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-cyclopentyl}-propionic acid | CHEMBL42583 | Sampatrilat
Type:
Small organic molecule
Emp. Form.:
C26H40N4O9S
Mol. Mass.:
584.682
SMILES:
CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: