Reaction Details Report a problem with these data
Target
Endothelin receptor type B
Ligand
BDBM50071442
Substrate
n/a
Meas. Tech.
ChEBML_64012
Ki
3.1±n/a nM
Citation
 Sakaki, J; Murata, T; Yuumoto, Y; Nakamura, I; Trueh, T; Pitterna, T; Iwasaki, G; Oda, K; Yamamura, T; Hayakawa, K Discovery of IRL 3461: a novel and potent endothelin antagonist with balanced ETA/ETB affinity. Bioorg Med Chem Lett 8:2241-6 (1999) [PubMed]  Article 
Target
Name:
Endothelin receptor type B
Synonyms:
EDNRB | EDNRB_HUMAN | ENDOTHELIN B | ET-B | ETRB | Endothelin receptor ET-B | Endothelin receptor non-selective type | Endothelin receptor, ET-A/ET-B
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49664.00
Organism:
Homo sapiens (Human)
Description:
ENDOTHELIN B EDNRB HUMAN::P24530
Residue:
442
Sequence:
MQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNASLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
  
Inhibitor
Name:
BDBM50071442
Synonyms:
CHEMBL72358 | N-[(R)-1-[2-(Butane-1-sulfonylamino)-1-cyclohexyl-2-oxo-ethylcarbamoyl]-2-(4-isoxazol-5-yl-phenyl)-ethyl]-3,5,N-trimethyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C34H44N4O6S
Mol. Mass.:
636.801
SMILES:
CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C1CCCCC1
Structure:
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