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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Growth hormone secretagogue receptor type 1
Species	Homo sapiens (Human)
Gene	GHSR
Synonym	ghrelin receptor GH-releasing peptide receptor GHRP GHS-R growth hormone-releasing peptide receptor ghrelin receptor 1a [ Show all ]
Disease	N/A
Length	366
Amino acid sequence	MWNATPSEEPGFNLTLADLDWDASPGNDSLGDELLQLFPAPLLAGVTATCVALFVVGIAGNLLTMLVVSRFRELRTTTNLYLSSMAFSDLLIFLCMPLDLVRLWQYRPWNFGDLLCKLFQFVSESCTYATVLTITALSVERYFAICFPLRAKVVVTKGRVKLVIFVIWAVAFCSAGPIFVLVGVEHENGTDPWDTNECRPTEFAVRSGLLTVMVWVSSIFFFLPVFCLTVLYSLIGRKLWRRRRGDAVVGASLRDQNHKQTVKMLAVVVFAFILCWLPFHVGRYLFSKSFEPGSLEIAQISQYCNLVSFVLFYLSAAINPILYNIMSKKYRVAVFRLLGFEPFSQRKLSTLKDESSRAWTESSINT
UniProt	Q92847
Protein Data Bank	N/A
GPCR-HGmod model	Q92847
3D structure model	This predicted structure model is from GPCR-EXP Q92847.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4616
IUPHAR	246
DrugBank	BE0003383

Ligand

Name	CHEMBL274599
Molecular formula	C28H34N4O2
IUPAC name	2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide
Molecular weight	458.606
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	3.7
Synonyms	1N-[1-(1H-3-indolylmethyl)-2-oxo-2-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-ylethyl]-2-amino-2-methylpropanamide L-162752 BDBM50069108 1-{[(2R)-1-{2,3-dihydrospiro[indene-1,4''-piperidine]-1''-yl}-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-1-methylethan-1-aminium SCHEMBL2578898 BDBM50403630 1N-[1-(1H-3-indolylmethyl)-2-oxo-2-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-yl-(1R)-ethyl]-2-amino-2-methylpropanamide CHEMBL558802 [ Show all ]
Inchi Key	NQEGSKXLUMFKJZ-XMMPIXPASA-N
Inchi ID	InChI=1S/C28H34N4O2/c1-27(2,29)26(34)31-24(17-20-18-30-23-10-6-4-8-21(20)23)25(33)32-15-13-28(14-16-32)12-11-19-7-3-5-9-22(19)28/h3-10,18,24,30H,11-17,29H2,1-2H3,(H,31,34)/t24-/m1/s1
PubChem CID	9890375
ChEMBL	CHEMBL274599
IUPHAR	N/A
BindingDB	50069108, 50403630
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	14.0 nM	PMID16722627, PMID17329109	BindingDB,ChEMBL
EC50	14.13 nM	PMID16722627, PMID17329109	ChEMBL

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