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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

NameCHEMBL3759033
Molecular formulaC71H107N19O12S2
IUPAC name(5R,15S,18S,21S,27S,30S,33S,36S,46R)-46-amino-15-(2-amino-2-oxoethyl)-30,36-dibenzyl-18,27-bis[3-(diaminomethylideneamino)propyl]-33-(2-methylpropyl)-7,14,17,20,26,29,32,35,38,45-decaoxo-3,48-dithia-6,13,16,19,25,28,31,34,37,44-decazatricyclo[48.3.1.021,25]tetrapentaconta-1(53),50(54),51-triene-5-carboxamide
Molecular weight1482.88
Hydrogen bond acceptor17
Hydrogen bond donor16
XlogP-0.2
SynonymsN/A
Inchi KeyXJPPBLWOYKHMPA-WIVDLTSQSA-N
Inchi IDInChI=1S/C71H107N19O12S2/c1-44(2)35-52-65(98)88-54(38-46-21-9-4-10-22-46)67(100)86-51(26-17-33-82-71(77)78)69(102)90-34-18-27-57(90)68(101)85-50(25-16-32-81-70(75)76)64(97)89-55(39-58(73)91)63(96)80-31-14-6-12-29-60(93)84-56(61(74)94)43-104-41-48-24-15-23-47(36-48)40-103-42-49(72)62(95)79-30-13-5-11-28-59(92)83-53(66(99)87-52)37-45-19-7-3-8-20-45/h3-4,7-10,15,19-24,36,44,49-57H,5-6,11-14,16-18,25-35,37-43,72H2,1-2H3,(H2,73,91)(H2,74,94)(H,79,95)(H,80,96)(H,83,92)(H,84,93)(H,85,101)(H,86,100)(H,87,99)(H,88,98)(H,89,97)(H4,75,76,81)(H4,77,78,82)/t49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
PubChem CID127026384
ChEMBLCHEMBL3759033
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
Emax60.6 %PMID26204509ChEMBL

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