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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

NameCHEMBL3759514
Molecular formulaC76H109N19O12S2
IUPAC name(5R,15S,18S,21S,32S,35S,38S,41S,51R)-51-amino-15-(2-amino-2-oxoethyl)-35,41-dibenzyl-18,32-bis[3-(diaminomethylideneamino)propyl]-38-(2-methylpropyl)-7,14,17,20,31,34,37,40,43,50-decaoxo-3,53-dithia-6,13,16,19,30,33,36,39,42,49-decazatetracyclo[53.3.1.021,30.023,28]nonapentaconta-1(58),23,25,27,55(59),56-hexaene-5-carboxamide
Molecular weight1544.95
Hydrogen bond acceptor17
Hydrogen bond donor16
XlogP0.8
SynonymsN/A
Inchi KeyGJJAUFREILCHNA-CRYQQEPOSA-N
Inchi IDInChI=1S/C76H109N19O12S2/c1-47(2)36-57-70(103)93-59(39-49-22-9-4-10-23-49)72(105)91-56(29-19-35-87-76(82)83)74(107)95-42-53-27-14-13-26-52(53)40-62(95)73(106)90-55(28-18-34-86-75(80)81)69(102)94-60(41-63(78)96)68(101)85-33-16-6-12-31-65(98)89-61(66(79)99)46-109-44-51-25-17-24-50(37-51)43-108-45-54(77)67(100)84-32-15-5-11-30-64(97)88-58(71(104)92-57)38-48-20-7-3-8-21-48/h3-4,7-10,13-14,17,20-27,37,47,54-62H,5-6,11-12,15-16,18-19,28-36,38-46,77H2,1-2H3,(H2,78,96)(H2,79,99)(H,84,100)(H,85,101)(H,88,97)(H,89,98)(H,90,106)(H,91,105)(H,92,104)(H,93,103)(H,94,102)(H4,80,81,86)(H4,82,83,87)/t54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
PubChem CID127026068
ChEMBLCHEMBL3759514
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
Emax60.4 %PMID26204509ChEMBL

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