Reaction Details Report a problem with these data
Target
Endothelin receptor type B
Ligand
BDBM50287885
Substrate
n/a
Meas. Tech.
ChEBML_63860
Ki
0.250000±n/a nM
Citation
 Fruh, T; Saika, H; Svensson, L; Pitterna, T; Sakaki, J; Okada, T; Urade, Y; Oda, K; Fujitani, Y; Takimoto, M; Yamamura, T; Inui, T; Makatani, M; Umemura, I; Teno, N; Toh, H; Hayakawa, K; Murata, T IRL 2500: A potent ETB selective endothelin antagonist Bioorg Med Chem Lett 6:2323-2328 (1996)    Article 
Target
Name:
Endothelin receptor type B
Synonyms:
EDNRB | EDNRB_PIG | Endothelin receptor ET-B
Type:
PROTEIN
Mol. Mass.:
49616.89
Organism:
Sus scrofa
Description:
ChEMBL_63872
Residue:
443
Sequence:
MQPLRSLCGRALVALIFACGVAGVQSEERGFPPAGATPPALRTGEIVAPPTKTFWPRGSNASLPRSSSPPQMPKGGRMAGPPARTLTPPPCEGPIEIKDTFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINVYKLLAEDWPFGVEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEALGFDMITTDYKGNRLRICLLHPTQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQNDSNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
  
Inhibitor
Name:
BDBM50287885
Synonyms:
CHEMBL405377 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu-Gly-lle-lle-Trp-COOH
Type:
Small organic molecule
Emp. Form.:
C75H103N15O19
Mol. Mass.:
1518.7094
SMILES:
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Structure:
Search PDB for entries with ligand similarity: