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GPCR

NameUrotensin-2 receptor
SpeciesRattus norvegicus (Rat)
GeneUts2r
SynonymUT receptor
urotensin II receptor
UR-II-R
UR-2-R
UII-R1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length386
Amino acid sequenceMALSLESTTSFHMLTVSGSTVTELPGDSNVSLNSSWSGPTDPSSLKDLVATGVIGAVLSAMGVVGMVGNVYTLVVMCRFLRASASMYVYVVNLALADLLYLLSIPFIIATYVTKDWHFGDVGCRVLFSLDFLTMHASIFTLTIMSSERYAAVLRPLDTVQRSKGYRKLLVLGTWLLALLLTLPMMLAIQLVRRGSKSLCLPAWGPRAHRTYLTLLFGTSIVGPGLVIGLLYVRLARAYWLSQQASFKQTRRLPNPRVLYLILGIVLLFWACFLPFWLWQLLAQYHEAMPLTPETARIVNYLTTCLTYGNSCINPFLYTLLTKNYREYLRGRQRSLGSSCHSPGSPGSFLPSRVHLQQDSGRSLSSSSQQATETLMLSPVPRNGALL
UniProtP49684
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4921
IUPHAR365
DrugBankN/A

Ligand

NameCHEMBL3315150
Molecular formulaC53H67N11O11S2
IUPAC name(2S)-2-[[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-3-carboxypropanoyl]amino]-16-benzyl-7-[(4-cyanophenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid
Molecular weight1098.31
Hydrogen bond acceptor16
Hydrogen bond donor12
XlogP-2.2
SynonymsBDBM50048703
Inchi KeyJESPIILQOGPHIH-XBIUDRFSSA-N
Inchi IDInChI=1S/C53H67N11O11S2/c1-29(2)43(52(74)75)63-50(72)41-28-76-77-53(3,4)44(64-45(67)35(56)25-42(65)66)51(73)61-39(22-30-12-6-5-7-13-30)47(69)60-40(24-33-27-57-36-15-9-8-14-34(33)36)49(71)58-37(16-10-11-21-54)46(68)59-38(48(70)62-41)23-31-17-19-32(26-55)20-18-31/h5-9,12-15,17-20,27,29,35,37-41,43-44,57H,10-11,16,21-25,28,54,56H2,1-4H3,(H,58,71)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,67)(H,65,66)(H,74,75)/t35-,37-,38-,39-,40-,41-,43-,44+/m0/s1
PubChem CID118708015
ChEMBLCHEMBL3315150
IUPHARN/A
BindingDB50048703
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC501.072 nMPMID24992374ChEMBL
EC501.1 nMPMID24992374BindingDB
Emax79.0 %PMID24992374ChEMBL

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