Reaction Details  Report a problem with these data
Target
Endothelin receptor type B
Ligand
BDBM50290055
Substrate
n/a
Meas. Tech.
ChEBML_63703
IC50
63±n/a nM
Citation
 Neidhart, W; Breu, V; Burri, K; Clozel, M; Hirth, G; Klinkhammer, U; Giller, T; Ramuz, H Discovery of Ro 48-5695: A potent mixed endothelin receptor antagonist optimized from bosentan Bioorg Med Chem Lett 7:2223-2228 (1997)    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:
BDBM50290055
Synonyms:
CHEMBL303428 | Pyridin-2-yl-carbamic acid 2-[6-(4-tert-butyl-benzenesulfonylamino)-5-(2-methoxy-phenoxy)-2-propyl-pyrimidin-4-yloxy]-ethyl ester
Type:
Small organic molecule
Emp. Form.:
C32H37N5O7S
Mol. Mass.:
635.73
SMILES:
CCCc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(Oc2ccccc2OC)c(OCCOC(=O)Nc2ccccn2)n1
Structure:
Search PDB for entries with ligand similarity: