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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameUrotensin-2 receptor
SpeciesHomo sapiens (Human)
GeneUTS2R
SynonymSENR (sensory epithelial neuropeptide-like receptor)
UII-R1
UT receptor
UR-2-R
UTR2
[ Show all ]
DiseaseAsthma
Diabetic nephropathy
Renal failure
Length389
Amino acid sequenceMALTPESPSSFPGLAATGSSVPEPPGGPNATLNSSWASPTEPSSLEDLVATGTIGTLLSAMGVVGVVGNAYTLVVTCRSLRAVASMYVYVVNLALADLLYLLSIPFIVATYVTKEWHFGDVGCRVLFGLDFLTMHASIFTLTVMSSERYAAVLRPLDTVQRPKGYRKLLALGTWLLALLLTLPVMLAMRLVRRGPKSLCLPAWGPRAHRAYLTLLFATSIAGPGLLIGLLYARLARAYRRSQRASFKRARRPGARALRLVLGIVLLFWACFLPFWLWQLLAQYHQAPLAPRTARIVNYLTTCLTYGNSCANPFLYTLLTRNYRDHLRGRVRGPGSGGGRGPVPSLQPRARFQRCSGRSLSSCSPQPTDSLVLAPAAPARPAPEGPRAPA
UniProtQ9UKP6
Protein Data BankN/A
GPCR-HGmod modelQ9UKP6
3D structure modelThis predicted structure model is from GPCR-EXP Q9UKP6.
BioLiPN/A
Therapeutic Target DatabaseT49072
ChEMBLCHEMBL3764
IUPHAR365
DrugBankN/A

Ligand

NameSB-436811
Molecular formulaC23H29Cl2N3O2
IUPAC name3,4-dichloro-N-[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]pyrrolidin-3-yl]benzamide
Molecular weight450.404
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsCHEMBL366221
346729-66-6
Benzamide,3,4-dichloro-N-[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-3-pyrrolidinyl]-
D0PQ8T
GTPL2164
[ Show all ]
Inchi KeyAMSSIFVGNFEEFU-IBGZPJMESA-N
Inchi IDInChI=1S/C23H29Cl2N3O2/c1-27(2)11-3-13-30-20-7-4-17(5-8-20)15-28-12-10-19(16-28)26-23(29)18-6-9-21(24)22(25)14-18/h4-9,14,19H,3,10-13,15-16H2,1-2H3,(H,26,29)/t19-/m0/s1
PubChem CID9846574
ChEMBLCHEMBL366221
IUPHAR2164
BindingDB50240963
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50158.0 nMPMID15936190BindingDB
IC50158.49 nMPMID15936190ChEMBL
IC50170.0 nMPMID18573659BindingDB,ChEMBL
Ki199.53 nMPMID15936190ChEMBL
Ki200.0 nMPMID20043680, PMID18573659BindingDB,ChEMBL
Ki250.0 nMPMID20043680BindingDB,ChEMBL

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