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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	SCHEMBL1704176
Molecular formula	C27H37FN4O
IUPAC name	2-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-1-[4-(3-fluoroanilino)piperidin-1-yl]propan-1-one
Molecular weight	452.618
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.3
Synonyms	CHEMBL2364332
Inchi Key	HQMIOCCKYFLZIK-WCRBZPEASA-N
Inchi ID	InChI=1S/C27H37FN4O/c1-19-16-31(17-20(2)29-19)18-22-7-9-23(10-8-22)21(3)27(33)32-13-11-25(12-14-32)30-26-6-4-5-24(28)15-26/h4-10,15,19-21,25,29-30H,11-14,16-18H2,1-3H3/t19-,20+,21?
PubChem CID	15984243
ChEMBL	CHEMBL2364332
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	15.85 nM	DOI: http://dx.doi.org/10.6019/CHEMBL2364262	ChEMBL

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