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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

NameCHEMBL3758826
Molecular formulaC75H113N19O12S2
IUPAC name(5R,15S,18S,21S,23S,28S,31S,34S,37S,40S,50R)-50-amino-15-(2-amino-2-oxoethyl)-34,40-dibenzyl-18,31-bis[3-(diaminomethylideneamino)propyl]-37-(2-methylpropyl)-7,14,17,20,30,33,36,39,42,49-decaoxo-3,52-dithia-6,13,16,19,29,32,35,38,41,48-decazatetracyclo[52.3.1.021,29.023,28]octapentaconta-1(57),54(58),55-triene-5-carboxamide
Molecular weight1536.97
Hydrogen bond acceptor17
Hydrogen bond donor16
XlogP1.1
SynonymsN/A
Inchi KeyITCWUFHMHTVRPO-XDODRLFFSA-N
Inchi IDInChI=1S/C75H113N19O12S2/c1-46(2)36-55-69(102)92-57(39-48-22-9-4-10-23-48)71(104)90-54(28-19-35-86-75(81)82)73(106)94-60-29-14-13-26-51(60)40-61(94)72(105)89-53(27-18-34-85-74(79)80)68(101)93-58(41-62(77)95)67(100)84-33-16-6-12-31-64(97)88-59(65(78)98)45-108-43-50-25-17-24-49(37-50)42-107-44-52(76)66(99)83-32-15-5-11-30-63(96)87-56(70(103)91-55)38-47-20-7-3-8-21-47/h3-4,7-10,17,20-25,37,46,51-61H,5-6,11-16,18-19,26-36,38-45,76H2,1-2H3,(H2,77,95)(H2,78,98)(H,83,99)(H,84,100)(H,87,96)(H,88,97)(H,89,105)(H,90,104)(H,91,103)(H,92,102)(H,93,101)(H4,79,80,85)(H4,81,82,86)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1
PubChem CID127028300
ChEMBLCHEMBL3758826
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
Emax70.0 %PMID26204509ChEMBL

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