Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	CHEMBL232342
Molecular formula	C29H41N5O5
IUPAC name	(6R,9R,12S)-12-(2-aminoethyl)-6-[(4-hydroxyphenyl)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	539.677
Hydrogen bond acceptor	7
Hydrogen bond donor	6
XlogP	2.3
Synonyms	BDBM50214265 (5R,8R,11S)-11-(2-aminoethyl)-5-[(4-hydroxyphenyl)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	ISISZWCVQIEXQM-BFLUCZKCSA-N
Inchi ID	InChI=1S/C29H41N5O5/c1-19(2)26-29(38)33-23(13-14-30)27(36)32-15-5-7-21-6-3-4-8-25(21)39-17-16-31-24(28(37)34-26)18-20-9-11-22(35)12-10-20/h3-4,6,8-12,19,23-24,26,31,35H,5,7,13-18,30H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)/t23-,24+,26+/m0/s1
PubChem CID	44432968
ChEMBL	CHEMBL232342
IUPHAR	N/A
BindingDB	50214265
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	342.0 nM	PMID17533127	BindingDB,ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218