Reaction Details Report a problem with these data
Target
Endothelin receptor type B/1 receptor
Ligand
BDBM50000564
Substrate
n/a
Meas. Tech.
ChEMBL_63209 (CHEMBL676577)
IC50
230000±n/a nM
Citation
 Doherty, AM Endothelin: a new challenge. J Med Chem 35:1493-508 (1992) [PubMed]  Article 
Target
Name:
Endothelin receptor type B/1 receptor
Synonyms:
Endothelin receptor, ET-A/ET-B
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 357787
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Endothelin-1 receptor
Synonyms:
EDNRA | EDNRA_HUMAN | ET-A | ETA | ETA-R | ETRA | Endothelin receptor type A | Endothelin receptor, ET-A/ET-B | hET-AR
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48736.88
Organism:
Homo sapiens (Human)
Description:
P25101
Residue:
427
Sequence:
METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
  
Inhibitor
Name:
BDBM50000564
Synonyms:
2-[2-{[2-(Cyclohexanecarbonyl-amino)-4-methyl-pentanoyl]-methyl-amino}-3-(1H-indol-3-yl)-propionylamino]-3-pyridin-2-yl-propionic acid; hydrochloride | CHEMBL538475
Type:
Small organic molecule
Emp. Form.:
C33H43N5O5
Mol. Mass.:
589.725
SMILES:
CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: