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GPCR

NameEndothelin receptor type B
SpeciesHomo sapiens (Human)
GeneEDNRB
Synonymendothelin B receptor
HSCR2
HSCR
ETB receptor
ET-BR
[ Show all ]
DiseaseArrhythmia
Hypertension
Pulmonary arterial hypertension
Solid tumours
Cancer
[ Show all ]
Length442
Amino acid sequenceMQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNASLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProtP24530
Protein Data Bank6igl, 6igk, 5xpr, 5x93
GPCR-HGmod modelP24530
3D structure modelThis structure is from PDB ID 6igl.
BioLiPBL0388813, BL0433639, BL0433638, BL0388896, BL0388814
Therapeutic Target DatabaseT92828
ChEMBLCHEMBL1785
IUPHAR220
DrugBankBE0000043

Ligand

NameSCHEMBL5351769
Molecular formulaC26H24N6O5
IUPAC name(2S)-2-[(6S)-1-(carboxymethyl)-6-phenyl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl]-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
Molecular weight500.515
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP-0.5
SynonymsAVUMTAXWDOUGCR-BVAGGSTKSA-N
(+/-)-(S*)-((6S*)-1-carboxymethyl-6-phenyl-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulen-6-yl)-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid
CHEMBL2112377
Inchi KeyAVUMTAXWDOUGCR-BVAGGSTKSA-N
Inchi IDInChI=1S/C26H24N6O5/c1-15-12-16(2)29-25(28-15)37-23(24(35)36)26(17-8-4-3-5-9-17)18-10-6-7-11-19(18)32-20(13-22(33)34)30-31-21(32)14-27-26/h3-12,23,27H,13-14H2,1-2H3,(H,33,34)(H,35,36)/t23-,26+/m1/s1
PubChem CID11156301
ChEMBLCHEMBL2112377
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50261.0 nMPMID15139756ChEMBL

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