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GPCR

NameNeuromedin-U receptor 1
SpeciesHomo sapiens (Human)
GeneNMUR1
SynonymNMU1 receptor
NmU-R1
GPR66
G-protein coupled receptor FM-3
G-protein coupled receptor 66
[ Show all ]
DiseaseN/A
Length426
Amino acid sequenceMTPLCLNCSVLPGDLYPGGARNPMACNGSAARGHFDPEDLNLTDEALRLKYLGPQQTELFMPICATYLLIFVVGAVGNGLTCLVILRHKAMRTPTNYYLFSLAVSDLLVLLVGLPLELYEMWHNYPFLLGVGGCYFRTLLFEMVCLASVLNVTALSVERYVAVVHPLQARSMVTRAHVRRVLGAVWGLAMLCSLPNTSLHGIRQLHVPCRGPVPDSAVCMLVRPRALYNMVVQTTALLFFCLPMAIMSVLYLLIGLRLRRERLLLMQEAKGRGSAAARSRYTCRLQQHDRGRRQVTKMLFVLVVVFGICWAPFHADRVMWSVVSQWTDGLHLAFQHVHVISGIFFYLGSAANPVLYSLMSSRFRETFQEALCLGACCHRLRPRHSSHSLSRMTTGSTLCDVGSLGSWVHPLAGNDGPEAQQETDPS
UniProtQ9HB89
Protein Data BankN/A
GPCR-HGmod modelQ9HB89
3D structure modelThis predicted structure model is from GPCR-EXP Q9HB89.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075178
IUPHAR298
DrugBankN/A

Ligand

NameCHEMBL3315348
Molecular formulaC51H67N15O8
IUPAC name(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-3-naphthalen-2-yl-2-(3-pyridin-3-ylpropanoylamino)propanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide
Molecular weight1018.19
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-0.7
SynonymsGTPL7926
BDBM50049424
compound 8d [PMID: 24999562]
D0M9DD
Inchi KeyHPJGEESDHAUUQR-SKGSPYGFSA-N
Inchi IDInChI=1S/C51H67N15O8/c52-42(67)29-38(44(53)69)64-45(70)36(15-7-23-59-50(54)55)62-48(73)41-17-9-25-66(41)49(74)37(16-8-24-60-51(56)57)63-47(72)40(27-31-10-2-1-3-11-31)65-46(71)39(61-43(68)21-19-32-12-6-22-58-30-32)28-33-18-20-34-13-4-5-14-35(34)26-33/h1-6,10-14,18,20,22,26,30,36-41H,7-9,15-17,19,21,23-25,27-29H2,(H2,52,67)(H2,53,69)(H,61,68)(H,62,73)(H,63,72)(H,64,70)(H,65,71)(H4,54,55,59)(H4,56,57,60)/t36-,37-,38-,39-,40-,41-/m0/s1
PubChem CID91623352
ChEMBLCHEMBL3315348
IUPHAR7926
BindingDB50049424
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
Activity5.1 nMPMID24999562ChEMBL
Activity63.0 %PMID24999562ChEMBL
Activity84.0 %PMID24999562ChEMBL
EC501.0 - 10.0 nMPMID24999562IUPHAR
EC502.2 nMPMID24999562BindingDB,ChEMBL
Intrinsic activity79.0 %PMID24999562ChEMBL

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