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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Motilin receptor
Species	Homo sapiens (Human)
Gene	MLNR
Synonym	GPR38 G protein-coupled receptor 38 G-protein coupled receptor 38 MTLR1 MTLR motilin receptor MOT-R [ Show all ]
Disease	Gastrointestinal disorders; Gastroesophageal reflux disease Irritable bowel syndrome Gastrointestinal disease Gastroesophageal reflux disease Gastric motility disorder Pain Dyspepsia Diarrhea Delayed gastric emptying; Gastroparesis Constipation Gastroparesis [ Show all ]
Length	412
Amino acid sequence	MGSPWNGSDGPEGAREPPWPALPPCDERRCSPFPLGALVPVTAVCLCLFVVGVSGNVVTVMLIGRYRDMRTTTNLYLGSMAVSDLLILLGLPFDLYRLWRSRPWVFGPLLCRLSLYVGEGCTYATLLHMTALSVERYLAICRPLRARVLVTRRRVRALIAVLWAVALLSAGPFLFLVGVEQDPGISVVPGLNGTARIASSPLASSPPLWLSRAPPPSPPSGPETAEAAALFSRECRPSPAQLGALRVMLWVTTAYFFLPFLCLSILYGLIGRELWSSRRPLRGPAASGRERGHRQTVRVLLVVVLAFIICWLPFHVGRIIYINTEDSRMMYFSQYFNIVALQLFYLSASINPILYNLISKKYRAAAFKLLLARKSRPRGFHRSRDTAGEVAGDTGGDTVGYTETSANVKTMG
UniProt	O43193
Protein Data Bank	N/A
GPCR-HGmod model	O43193
3D structure model	This predicted structure model is from GPCR-EXP O43193.
BioLiP	N/A
Therapeutic Target Database	T62306
ChEMBL	CHEMBL2203
IUPHAR	297
DrugBank	BE0003521

Ligand

Name	CHEMBL382612
Molecular formula	C35H38Cl4FN3O3
IUPAC name	N-[[3-[(3-chlorophenyl)methyl-(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]-4-fluoro-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
Molecular weight	709.505
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	8.5
Synonyms	BDBM50186110 rac-N-((3-(N-(3-chlorobenzyl)-2,2,2-trichloroacetamido)cyclohexyl)methyl)-4-fluoro-N-(3-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzamide
Inchi Key	IMQBTGWOTKESLU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H38Cl4FN3O3/c36-28-8-3-6-25(20-28)24-43(34(45)35(37,38)39)30-9-4-7-26(21-30)23-42(33(44)27-12-14-29(40)15-13-27)31-10-5-11-32(22-31)46-19-18-41-16-1-2-17-41/h3,5-6,8,10-15,20,22,26,30H,1-2,4,7,9,16-19,21,23-24H2
PubChem CID	44412878
ChEMBL	CHEMBL382612
IUPHAR	N/A
BindingDB	50186110
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	36.0 nM	PMID16650762	BindingDB
IC50	58.0 nM	PMID16650762	BindingDB
IC50	267.0 nM	PMID16650762	BindingDB,ChEMBL

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