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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	CHEMBL391045
Molecular formula	C28H38ClN5O4
IUPAC name	(6R,9R,12S)-12-(aminomethyl)-6-[(4-chlorophenyl)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 weight	544.093
Hydrogen bond acceptor	6
Hydrogen bond donor	5
XlogP	3.5
Synonyms	BDBM50214275 SCHEMBL73721 (5R,8R,11S)-11-(aminomethyl)-5-[(4-chlorophenyl)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 Key	GIGOFXNPNLWMME-GIFXNVAJSA-N
Inchi ID	InChI=1S/C28H38ClN5O4/c1-18(2)25-28(37)33-23(17-30)26(35)32-13-5-7-20-6-3-4-8-24(20)38-15-14-31-22(27(36)34-25)16-19-9-11-21(29)12-10-19/h3-4,6,8-12,18,22-23,25,31H,5,7,13-17,30H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/t22-,23+,25-/m1/s1
PubChem CID	11168753
ChEMBL	CHEMBL391045
IUPHAR	N/A
BindingDB	50214275
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	60.0 nM	PMID17533127	BindingDB,ChEMBL

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