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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

NameCHEMBL3758687
Molecular formulaC53H83N17O10
IUPAC name(2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide
Molecular weight1118.36
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-2.1
SynonymsN/A
Inchi KeyPJEHVZMSSMHRIX-ZTYVOHGWSA-N
Inchi IDInChI=1S/C53H83N17O10/c1-30(2)26-35(65-44(75)37(68-49(80)52(3,4)60)28-32-18-11-8-12-19-32)42(73)66-36(27-31-16-9-7-10-17-31)43(74)64-34(21-14-24-62-51(58)59)47(78)70-25-15-22-39(70)46(77)63-33(20-13-23-61-50(56)57)41(72)67-38(29-40(54)71)45(76)69-53(5,6)48(55)79/h7-12,16-19,30,33-39H,13-15,20-29,60H2,1-6H3,(H2,54,71)(H2,55,79)(H,63,77)(H,64,74)(H,65,75)(H,66,73)(H,67,72)(H,68,80)(H,69,76)(H4,56,57,61)(H4,58,59,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID127026693
ChEMBLCHEMBL3758687
IUPHARN/A
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.

Experimental Data

ParameterValueReferenceDatabase source
EC5056.23 nMPMID26204509ChEMBL
Emax104.7 %PMID26204509ChEMBL

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