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GPCR

NameNeuromedin-U receptor 2
SpeciesHomo sapiens (Human)
GeneNMUR2
SynonymG-protein coupled receptor FM-4
G-protein coupled receptor TGR-1
FM4
NMU-R2
NMU2 receptor
[ Show all ]
DiseaseN/A
Length415
Amino acid sequenceMSGMEKLQNASWIYQQKLEDPFQKHLNSTEEYLAFLCGPRRSHFFLPVSVVYVPIFVVGVIGNVLVCLVILQHQAMKTPTNYYLFSLAVSDLLVLLLGMPLEVYEMWRNYPFLFGPVGCYFKTALFETVCFASILSITTVSVERYVAILHPFRAKLQSTRRRALRILGIVWGFSVLFSLPNTSIHGIKFHYFPNGSLVPGSATCTVIKPMWIYNFIIQVTSFLFYLLPMTVISVLYYLMALRLKKDKSLEADEGNANIQRPCRKSVNKMLFVLVLVFAICWAPFHIDRLFFSFVEEWSESLAAVFNLVHVVSGVFFYLSSAVNPIIYNLLSRRFQAAFQNVISSFHKQWHSQHDPQLPPAQRNIFLTECHFVELTEDIGPQFPCQSSMHNSHLPAALSSEQMSRTNYQSFHFNKT
UniProtQ9GZQ4
Protein Data BankN/A
GPCR-HGmod modelQ9GZQ4
3D structure modelThis predicted structure model is from GPCR-EXP Q9GZQ4.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075144
IUPHAR299
DrugBankN/A

Ligand

NameGTPL9009
Molecular formulaC87H151N17O10
IUPAC name2-[[(2S)-5-(diaminomethylideneamino)-2-[[1-[(2S)-5-(diaminomethylideneamino)-2-[[2-[[(2S)-2-[[2-[[2-[6-(dihexadecylamino)hexanoylamino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide
Molecular weight1595.27
Hydrogen bond acceptor13
Hydrogen bond donor13
XlogP14.7
Synonyms2-[(2S)-5-carbamimidamido-2-({1-[(2S)-5-carbamimidamido-2-{2-[(2S)-2-(2-{2-[6-(dihexadecylamino)hexanamido]-2-methylpropanamido}-3-phenylpropanamido)-4-methylpentanamido]-3-phenylpropanamido}pentanoyl]pyrrolidin-2-yl}formamido)pentanamido]butanediamide
NM4-C16
Inchi KeyGDPUTCQTCXMCTL-YPQIROLXSA-N
Inchi IDInChI=1S/C87H151N17O10/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-41-57-103(58-42-32-30-28-26-24-22-20-18-16-14-12-10-8-2)59-43-35-40-54-76(106)102-87(5,6)84(114)101-73(63-67-49-38-34-39-50-67)81(111)99-71(61-65(3)4)79(109)100-72(62-66-47-36-33-37-48-66)80(110)97-69(52-45-56-95-86(92)93)83(113)104-60-46-53-74(104)82(112)96-68(51-44-55-94-85(90)91)78(108)98-70(77(89)107)64-75(88)105/h33-34,36-39,47-50,65,68-74H,7-32,35,40-46,51-64H2,1-6H3,(H2,88,105)(H2,89,107)(H,96,112)(H,97,110)(H,98,108)(H,99,111)(H,100,109)(H,101,114)(H,102,106)(H4,90,91,94)(H4,92,93,95)/t68-,69-,70?,71-,72?,73?,74?/m0/s1
PubChem CID117072559
ChEMBLN/A
IUPHAR9009
BindingDBN/A
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50794.328 nMPMID26204509IUPHAR

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