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GLASS

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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	CHEMBL386036
Molecular formula	C28H36N4O6
IUPAC name	(6R,9R,12S,16E)-12-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione
Molecular weight	524.618
Hydrogen bond acceptor	7
Hydrogen bond donor	6
XlogP	2.8
Synonyms	BDBM50199376 (9R,12R,15S)-9-(4-hydroxy-benzyl)-15-hydroxymethyl-12-isopropyl-6,7,8,9,11,12,14,15,17,18-decahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione
Inchi Key	CQYJJDQNOOMWMR-NQWXHHCGSA-N
Inchi ID	InChI=1S/C28H36N4O6/c1-18(2)25-28(37)31-23(17-33)26(35)30-13-5-7-20-6-3-4-8-24(20)38-15-14-29-22(27(36)32-25)16-19-9-11-21(34)12-10-19/h3-12,18,22-23,25,29,33-34H,13-17H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)/b7-5+/t22-,23+,25-/m1/s1
PubChem CID	11995156
ChEMBL	CHEMBL386036
IUPHAR	N/A
BindingDB	50199376
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	650.0 nM	PMID17125271	BindingDB,ChEMBL

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