Reaction Details Report a problem with these data
Target
Endothelin receptor type B
Ligand
BDBM50000558
Substrate
n/a
Meas. Tech.
ChEBML_63192
IC50
1.6±n/a nM
Citation
 Cody, WL; Doherty, AM; He, JX; DePue, PL; Rapundalo, ST; Hingorani, GA; Major, TC; Panek, RL; Dudley, DT; Haleen, SJ Design of a functional hexapeptide antagonist of endothelin. J Med Chem 35:3301-3 (1992) [PubMed]  Article 
Target
Name:
Endothelin receptor type B
Synonyms:
EDNRB_RAT | ENDOTHELIN B | ET-B | Ednrb | Endothelin receptor | Endothelin receptor non-selective type
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49483.43
Organism:
RAT
Description:
ENDOTHELIN B EDNRB RAT::P21451
Residue:
442
Sequence:
MQSSASRCGRALVALLLACGLLGVWGEKRGFPPAQATPSLLGTKEVMTPPTKTSWTRGSNSSLMRSSAPAEVTKGGRVAGVPPRSFPPPCQRKIEINKTFKYINTIVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINAYKLLAGDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDVITSDYKGKPLRVCMLNPFQKTAFMQFYKTAKDWWLFSFYFCLPLAITAIFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQSNPQRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQTFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
  
Inhibitor
Name:
BDBM50000558
Synonyms:
CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1, ET-1 | Endothelin derivative | Endothelin-1 | c(Cys-Ser-c(Cys-Ser-Ser-Leu-Met-Asp-Lys-Gln-Cys)-Val-Tyr-Phe-Cys)-His-Leu-Asp-Ile-Ile-Trp
Type:
Small organic molecule
Emp. Form.:
C109H159N25O32S5
Mol. Mass.:
2491.902
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)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: