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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

NameCHEMBL232342
Molecular formulaC29H41N5O5
IUPAC name(6R,9R,12S)-12-(2-aminoethyl)-6-[(4-hydroxyphenyl)methyl]-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
Molecular weight539.677
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP2.3
SynonymsBDBM50214265
(5R,8R,11S)-11-(2-aminoethyl)-5-[(4-hydroxyphenyl)methyl]-8-(propan-2-yl)-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione
Inchi KeyISISZWCVQIEXQM-BFLUCZKCSA-N
Inchi IDInChI=1S/C29H41N5O5/c1-19(2)26-29(38)33-23(13-14-30)27(36)32-15-5-7-21-6-3-4-8-25(21)39-17-16-31-24(28(37)34-26)18-20-9-11-22(35)12-10-20/h3-4,6,8-12,19,23-24,26,31,35H,5,7,13-18,30H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)/t23-,24+,26+/m0/s1
PubChem CID44432968
ChEMBLCHEMBL232342
IUPHARN/A
BindingDB50214265
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki342.0 nMPMID17533127BindingDB,ChEMBL

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