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Target
Endothelin receptor type B
Ligand
BDBM50395673
Substrate
n/a
Meas. Tech.
ChEMBL_859880 (CHEMBL2166381)
IC50
0.208±n/a nM
Citation
 Bolli, MH; Boss, C; Binkert, C; Buchmann, S; Bur, D; Hess, P; Iglarz, M; Meyer, S; Rein, J; Rey, M; Treiber, A; Clozel, M; Fischli, W; Weller, T The discovery of N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide (Macitentan), an orally active, potent dual endothelin receptor antagonist. J Med Chem 55:7849-61 (2012) [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:
BDBM50395673
Synonyms:
CHEMBL2165327
Type:
Small organic molecule
Emp. Form.:
C103H147N27O37S5
Mol. Mass.:
2515.753
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Structure:
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