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Target
Endothelin-1 receptor
Ligand
BDBM50050021
Substrate
n/a
Meas. Tech.
ChEMBL_63356 (CHEMBL679120)
IC50
900±n/a nM
Citation
 von Geldern, TW; Kester, JA; Bal, R; Wu-Wong, JR; Chiou, W; Dixon, DB; Opgenorth, TJ Azole endothelin antagonists. 2. Structure-activity studies. J Med Chem 39:968-81 (1996) [PubMed]  Article 
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA_RAT | ENDOTHELIN A | Ednra | Endothelin receptor | Endothelin-1 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48256.91
Organism:
RAT
Description:
ENDOTHELIN A EDNRA RAT::P26684
Residue:
426
Sequence:
MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCMLNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSSHKDSMN
  
Inhibitor
Name:
BDBM50050021
Synonyms:
2-[(R)-1-[(S)-2-(3-Adamantan-1-yl-ureido)-4-methyl-pentanoylamino]-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid | CHEMBL175277
Type:
Small organic molecule
Emp. Form.:
C33H43N5O5
Mol. Mass.:
589.725
SMILES:
CC(C)C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1 |TLB:16:15:18:11.10.12,16:11:18:15.17.14,THB:14:15:10:13.18.12,14:13:10:15.17.16|
Structure:
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