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GPCR

NameMotilin receptor
SpeciesHomo sapiens (Human)
GeneMLNR
SynonymGPR38
G protein-coupled receptor 38
G-protein coupled receptor 38
MTLR1
MTLR
[ Show all ]
DiseaseGastrointestinal disorders; Gastroesophageal reflux disease
Irritable bowel syndrome
Gastrointestinal disease
Gastroesophageal reflux disease
Gastric motility disorder
[ Show all ]
Length412
Amino acid sequenceMGSPWNGSDGPEGAREPPWPALPPCDERRCSPFPLGALVPVTAVCLCLFVVGVSGNVVTVMLIGRYRDMRTTTNLYLGSMAVSDLLILLGLPFDLYRLWRSRPWVFGPLLCRLSLYVGEGCTYATLLHMTALSVERYLAICRPLRARVLVTRRRVRALIAVLWAVALLSAGPFLFLVGVEQDPGISVVPGLNGTARIASSPLASSPPLWLSRAPPPSPPSGPETAEAAALFSRECRPSPAQLGALRVMLWVTTAYFFLPFLCLSILYGLIGRELWSSRRPLRGPAASGRERGHRQTVRVLLVVVLAFIICWLPFHVGRIIYINTEDSRMMYFSQYFNIVALQLFYLSASINPILYNLISKKYRAAAFKLLLARKSRPRGFHRSRDTAGEVAGDTGGDTVGYTETSANVKTMG
UniProtO43193
Protein Data BankN/A
GPCR-HGmod modelO43193
3D structure modelThis predicted structure model is from GPCR-EXP O43193.
BioLiPN/A
Therapeutic Target DatabaseT62306
ChEMBLCHEMBL2203
IUPHAR297
DrugBankBE0003521

Ligand

NameCHEMBL501315
Molecular formulaC36H48N4O2
IUPAC name3-cyclohexyl-1-[[2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-1-[2-(3-methoxyphenyl)ethyl]urea
Molecular weight568.806
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.5
Synonyms3-Cyclohexyl-1-[4''-((3R,5S)-3,5-dimethyl-piperazin-1-ylmethyl)-biphenyl-2-ylmethyl]-1-[2-(3-methoxy-phenyl)-ethyl]-urea
3-cyclohexyl-1-((4''-(((3S,5R)-3,5-dimethylpiperazin-1-yl)methyl)biphenyl-2-yl)methyl)-1-(3-methoxyphenethyl)urea
BDBM50254851
Inchi KeyGNURRCJPQXKFTN-HNRBIFIRSA-N
Inchi IDInChI=1S/C36H48N4O2/c1-27-23-39(24-28(2)37-27)25-30-16-18-31(19-17-30)35-15-8-7-11-32(35)26-40(36(41)38-33-12-5-4-6-13-33)21-20-29-10-9-14-34(22-29)42-3/h7-11,14-19,22,27-28,33,37H,4-6,12-13,20-21,23-26H2,1-3H3,(H,38,41)/t27-,28+
PubChem CID16752689
ChEMBLCHEMBL501315
IUPHARN/A
BindingDB50254851
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity1.0 -PMID18980843ChEMBL
EC5010.0 nMPMID19006669, PMID23281966, PMID18980843BindingDB,ChEMBL
EC5050.12 nMPMID19006669BindingDB,ChEMBL

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