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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	CHEMBL232154
Molecular formula	C29H40ClN7O4
IUPAC name	2-[[(6R,9R,12S)-6-[(4-chlorophenyl)methyl]-7,10,13-trioxo-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-12-yl]methyl]guanidine
Molecular weight	586.134
Hydrogen bond acceptor	6
Hydrogen bond donor	6
XlogP	2.4
Synonyms	BDBM50214270 SCHEMBL74051 1-{[(5R,8R,11S)-5-[(4-chlorophenyl)methyl]-6,9,12-trioxo-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-benzoxatetrazacyclooctadecin-11-yl]methyl}guanidine
Inchi Key	ABVYORDZFPNGAL-GIFXNVAJSA-N
Inchi ID	InChI=1S/C29H40ClN7O4/c1-18(2)25-28(40)36-23(17-35-29(31)32)26(38)34-13-5-7-20-6-3-4-8-24(20)41-15-14-33-22(27(39)37-25)16-19-9-11-21(30)12-10-19/h3-4,6,8-12,18,22-23,25,33H,5,7,13-17H2,1-2H3,(H,34,38)(H,36,40)(H,37,39)(H4,31,32,35)/t22-,23+,25-/m1/s1
PubChem CID	11204067
ChEMBL	CHEMBL232154
IUPHAR	N/A
BindingDB	50214270
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	6.0 nM	PMID17533127	BindingDB,ChEMBL

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