Reaction Details Report a problem with these data
Target
Endothelin-converting enzyme 1
Ligand
BDBM50064113
Substrate
n/a
Meas. Tech.
ChEMBL_64360 (CHEMBL679847)
IC50
28±n/a nM
Citation
 Wallace, EM; Moliterni, JA; Moskal, MA; Neubert, AD; Marcopulos, N; Stamford, LB; Trapani, AJ; Savage, P; Chou, M; Jeng, AY Design and synthesis of potent, selective inhibitors of endothelin-converting enzyme. J Med Chem 41:1513-23 (1998) [PubMed]  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:
BDBM50064113
Synonyms:
CHEMBL40168 | {[(S)-1-(2-Biphenyl-4-yl-ethylcarbamoyl)-4-(2,4-difluoro-phenyl)-but-3-ynylamino]-methyl}-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C26H25F2N2O4P
Mol. Mass.:
498.4583
SMILES:
OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccc(cc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: