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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

NameCHEMBL214543
Molecular formulaC28H36N4O6
IUPAC name(6R,9R,12S,16E)-9-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione
Molecular weight524.618
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP2.7
Synonyms(9R,12R,15S)-9-(4-hydroxy-benzyl)-12-hydroxymethyl-15-propyl-6,7,8,9,11,12,14,15,17,18-decahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione
BDBM50199367
Inchi KeyAQYIAAXJNZVUPE-DDAQEBKQSA-N
Inchi IDInChI=1S/C28H36N4O6/c1-2-6-22-26(35)30-14-5-8-20-7-3-4-9-25(20)38-16-15-29-23(17-19-10-12-21(34)13-11-19)27(36)32-24(18-33)28(37)31-22/h3-5,7-13,22-24,29,33-34H,2,6,14-18H2,1H3,(H,30,35)(H,31,37)(H,32,36)/b8-5+/t22-,23+,24+/m0/s1
PubChem CID11994676
ChEMBLCHEMBL214543
IUPHARN/A
BindingDB50199367
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
Ki<10000.0 nMPMID17125271BindingDB,ChEMBL

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