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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	CHEMBL425594
Molecular formula	C26H27N5O3S
IUPAC name	5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
Molecular weight	489.594
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	3.0
Synonyms	BDBM19387 SCHEMBL6363980 6-[(Benzyloxy)methyl]-5-(4-{[4-(methylsulfonyl)benzyl]amino}phenyl)pyrimidine-2,4-diamine 2,4-diaminopyrimidine derivative, 8c AMXPCCCIUNIREO-UHFFFAOYSA-N 6-[(benzyloxy)methyl]-5-(4-{[(4-methanesulfonylphenyl)methyl]amino}phenyl)pyrimidine-2,4-diamine [ Show all ]
Inchi Key	AMXPCCCIUNIREO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H27N5O3S/c1-35(32,33)22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-34-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)
PubChem CID	11225576
ChEMBL	CHEMBL425594
IUPHAR	N/A
BindingDB	19387
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	7.2 nM	PMID16610800	BindingDB
IC50	0.3 nM	PMID16442284, PMID16610800	BindingDB,ChEMBL
IC50	7.1 nM	PMID16442284	BindingDB,ChEMBL
IC50	7.2 nM	PMID16610800	ChEMBL

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