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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

NameCHEMBL3759408
Molecular formulaC63H101N19O12S2
IUPAC name(2S)-N-[6-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexyl]-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[6-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide
Molecular weight1380.74
Hydrogen bond acceptor17
Hydrogen bond donor18
XlogP-2.0
SynonymsN/A
Inchi KeyFNLRHCKDWBNOEN-IAUAMBRNSA-N
Inchi IDInChI=1S/C63H101N19O12S2/c1-38(2)32-44(79-58(91)45(33-39-18-7-3-8-19-39)75-51(84)25-11-5-13-27-71-54(87)41(64)36-95)57(90)80-46(34-40-20-9-4-10-21-40)59(92)78-43(23-16-30-74-63(69)70)61(94)82-31-17-24-49(82)60(93)77-42(22-15-29-73-62(67)68)56(89)81-47(35-50(65)83)55(88)72-28-14-6-12-26-52(85)76-48(37-96)53(66)86/h3-4,7-10,18-21,38,41-49,95-96H,5-6,11-17,22-37,64H2,1-2H3,(H2,65,83)(H2,66,86)(H,71,87)(H,72,88)(H,75,84)(H,76,85)(H,77,93)(H,78,92)(H,79,91)(H,80,90)(H,81,89)(H4,67,68,73)(H4,69,70,74)/t41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
PubChem CID127025171
ChEMBLCHEMBL3759408
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
EC50162.18 nMPMID26204509ChEMBL
Emax59.8 %PMID26204509ChEMBL

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