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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

NameCHEMBL1165796
Molecular formulaC47H55N9O7S2
IUPAC name(4R,7S,10S,13S,16S,19R)-19-acetamido-10-(4-aminobutyl)-16-benzyl-13-(1H-indol-3-ylmethyl)-7-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight922.133
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP3.3
SynonymsBDBM50320471
(4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)-19-acetamido-10-(4-aminobutyl)-16-benzyl-7-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
Inchi KeyOGDNVDJQKDLFQU-SKGSPYGFSA-N
Inchi IDInChI=1S/C47H55N9O7S2/c1-28(57)51-41-27-65-64-26-40(42(49)58)56-46(62)38(23-31-16-11-15-30-14-5-6-17-33(30)31)54-43(59)36(20-9-10-21-48)52-45(61)39(24-32-25-50-35-19-8-7-18-34(32)35)55-44(60)37(53-47(41)63)22-29-12-3-2-4-13-29/h2-8,11-19,25,36-41,50H,9-10,20-24,26-27,48H2,1H3,(H2,49,58)(H,51,57)(H,52,61)(H,53,63)(H,54,59)(H,55,60)(H,56,62)/t36-,37-,38-,39-,40-,41-/m0/s1
PubChem CID10865905
ChEMBLCHEMBL1165796
IUPHARN/A
BindingDB50320471
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501.5 nMPMID20043680BindingDB,ChEMBL
Ki4.1 nMPMID20043680BindingDB,ChEMBL

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