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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

NameCHEMBL321831
Molecular formulaC28H42N2O6
IUPAC name(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxylic acid
Molecular weight502.652
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.1
Synonyms(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-[2-(tetrahydro-furan-2-yl)-ethyl]-pyrrolidine-3-carboxylic acid
BDBM50066373
Inchi KeyABQDXGJXZPQJDX-FTLVJZLWSA-N
Inchi IDInChI=1S/C28H42N2O6/c1-3-5-13-29(14-6-4-2)26(31)18-30-17-22(20-9-12-24-25(16-20)36-19-35-24)27(28(32)33)23(30)11-10-21-8-7-15-34-21/h9,12,16,21-23,27H,3-8,10-11,13-15,17-19H2,1-2H3,(H,32,33)/t21?,22-,23+,27-/m1/s1
PubChem CID11799636
ChEMBLCHEMBL321831
IUPHARN/A
BindingDB50066373
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000.0 nMPMID9703472BindingDB,ChEMBL

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