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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL204474
Molecular formula	C26H23N5O2
IUPAC name	4-[[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenoxy]methyl]benzonitrile
Molecular weight	437.503
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.5
Synonyms	2,4-diaminopyrimidine derivative, 10b BDBM19402 SCHEMBL3636011
Inchi Key	AQYMUQIJCIMKFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H23N5O2/c27-14-18-6-8-20(9-7-18)16-33-22-12-10-21(11-13-22)24-23(30-26(29)31-25(24)28)17-32-15-19-4-2-1-3-5-19/h1-13H,15-17H2,(H4,28,29,30,31)
PubChem CID	11166495
ChEMBL	CHEMBL204474
IUPHAR	N/A
BindingDB	19402
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	3610.0 nM	PMID16610800	BindingDB
IC50	83.0 nM	PMID16610800	BindingDB,ChEMBL
IC50	3610.0 nM	PMID16610800	ChEMBL

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