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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	Rattus norvegicus (Rat)
Gene	Ghsr
Synonym	GH-releasing peptide receptor Ghrelin receptor ghrelin receptor 1a GHRP GHS-R growth hormone-releasing peptide receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	364
Amino acid sequence	MWNATPSEEPEPNVTLDLDWDASPGNDSLPDELLPLFPAPLLAGVTATCVALFVVGISGNLLTMLVVSRFRELRTTTNLYLSSMAFSDLLIFLCMPLDLVRLWQYRPWNFGDLLCKLFQFVSESCTYATVLTITALSVERYFAICFPLRAKVVVTKGRVKLVILVIWAVAFCSAGPIFVLVGVEHENGTDPRDTNECRATEFAVRSGLLTVMVWVSSVFFFLPVFCLTVLYSLIGRKLWRRRGDAAVGASLRDQNHKQTVKMLAVVVFAFILCWLPFHVGRYLFSKSFEPGSLEIAQISQYCNLVSFVLFYLSAAINPILYNIMSKKYRVAVFKLLGFESFSQRKLSTLKDESSRAWTKSSINT
UniProt	O08725
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3278
IUPHAR	246
DrugBank	N/A

Ligand

Name	CHEMBL1080389
Molecular formula	C27H24FN3O2
IUPAC name	[4-(2-fluorophenyl)phenyl]-[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]methanone
Molecular weight	441.506
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.6
Synonyms	BDBM50312778 (S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(2''-fluorobiphenyl-4-yl)methanone
Inchi Key	MESZSUFNQDICOD-SFHVURJKSA-N
Inchi ID	InChI=1S/C27H24FN3O2/c1-18-17-30(14-15-31(18)27(33)22-11-8-20-12-13-29-25(20)16-22)26(32)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
PubChem CID	46880628
ChEMBL	CHEMBL1080389
IUPHAR	N/A
BindingDB	50312778
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	33.0 %	PMID20137933	ChEMBL
Activity	41.0 %	PMID20137933	ChEMBL
Activity	42.0 %	PMID20137933	ChEMBL
IC50	2.0 nM	PMID20137933	ChEMBL

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