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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

NameSCHEMBL2765637
Molecular formulaC25H28FN5O2
IUPAC name6-(4-fluorophenoxy)-N-methyl-N-[4-methyl-5-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridin-2-yl]pyridine-3-carboxamide
Molecular weight449.53
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsCHEMBL2364321
6-[(4-Fluorophenyl)oxy]-N-methyl-N-(4-methyl-5-{[(3S)-3-methyl-1-piperazinyl]methyl}-2-pyridinyl)-3-pyridinecarboxamide
FBILDSAANWEWAK-SFHVURJKSA-N
Inchi KeyFBILDSAANWEWAK-SFHVURJKSA-N
Inchi IDInChI=1S/C25H28FN5O2/c1-17-12-23(28-14-20(17)16-31-11-10-27-18(2)15-31)30(3)25(32)19-4-9-24(29-13-19)33-22-7-5-21(26)6-8-22/h4-9,12-14,18,27H,10-11,15-16H2,1-3H3/t18-/m0/s1
PubChem CID23728915
ChEMBLCHEMBL2364321
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC501.995 nMDOI: http://dx.doi.org/10.6019/CHEMBL2364262ChEMBL

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