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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	BDBM9488
Molecular formula	C19H19F3N6O2
IUPAC name	(4aR,7aS)-2-amino-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
Molecular weight	420.396
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	1.3
Synonyms	J3.604.699F 60X (2e,4ar,7as)-7a-(2,4-Difluorophenyl)-6-(5-Fluoro-4-Methoxy-6-Methylpyrimidin-2-Yl)-2-Imino-3-Methyloctahydro-4h-Pyrrolo[3,4-D]pyrimidin-4-One SCHEMBL12599638 CHEMBL3640290 1,2,3,4,4abeta,5,7,7abeta-Octahydro-2-imino-3-methyl-4-oxo-6-(4-methyl-6-methoxy-5-fluoropyrimidine-2-yl)-7a-(2,4-difluorophenyl)-6H-pyrrolo[3,4-d]pyrimidine US8541427, 1 [ Show all ]
Inchi Key	FNMJFZYRSQTKIH-HXPMCKFVSA-N
Inchi ID	InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1
PubChem CID	44467360
ChEMBL	CHEMBL3640290
IUPHAR	N/A
BindingDB	9488
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	19000.0 nM	PMID26937601	BindingDB,ChEMBL

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