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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	CHEMBL211265
Molecular formula	C22H23N5O2
IUPAC name	N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]cyclopropanecarboxamide
Molecular weight	389.459
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.9
Synonyms	SCHEMBL6259740 BDBM19358 LS-193094 n-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)cyclopropanecarboxamide 2,4-diaminopyrimidine-based antagonist, 13d
Inchi Key	ATKRWWYTIGCNEA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23N5O2/c23-20-19(15-8-10-17(11-9-15)25-21(28)16-6-7-16)18(26-22(24)27-20)13-29-12-14-4-2-1-3-5-14/h1-5,8-11,16H,6-7,12-13H2,(H,25,28)(H4,23,24,26,27)
PubChem CID	11349789
ChEMBL	CHEMBL211265
IUPHAR	N/A
BindingDB	19358
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	188.0 nM	PMID16854051	BindingDB
IC50	66.0 nM	PMID16854051	BindingDB,ChEMBL
IC50	188.0 nM	PMID16854051	ChEMBL

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