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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

NameCHEMBL3758577
Molecular formulaC49H76N16O9
IUPAC name(2S)-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 weight1033.25
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP-2.1
SynonymsN/A
Inchi KeyWCCHVVMHWNBYPX-PEAOEFARSA-N
Inchi IDInChI=1S/C49H76N16O9/c1-28(2)24-34(62-43(71)36(64-46(74)49(3,4)56)26-30-16-9-6-10-17-30)41(69)63-35(25-29-14-7-5-8-15-29)42(70)60-32(19-12-22-58-48(54)55)45(73)65-23-13-20-37(65)44(72)59-31(18-11-21-57-47(52)53)40(68)61-33(39(51)67)27-38(50)66/h5-10,14-17,28,31-37H,11-13,18-27,56H2,1-4H3,(H2,50,66)(H2,51,67)(H,59,72)(H,60,70)(H,61,68)(H,62,71)(H,63,69)(H,64,74)(H4,52,53,57)(H4,54,55,58)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
PubChem CID127028302
ChEMBLCHEMBL3758577
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
EC500.5623 nMPMID26204509ChEMBL
Emax66.3 %PMID26204509ChEMBL

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