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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	Ibutamoren
Molecular formula	C27H36N4O5S
IUPAC name	2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
Molecular weight	528.668
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	1.3
Synonyms	(R)-2-amino-N-(3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidin]-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide BDBM50049478 GJ0EGN38UL MK-0677 ZINC1543181 1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-2-methylpropanamide ABP000475 CHEMBL13817 Ibutamoren [INN] NCGC00263115-05 2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide AKOS025401779 DTXSID90166700 L-163191(MK-0667)/Propanamide SCHEMBL739398 1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4''-piperidine]-1''-yl}-1-oxopropan-2-yl]carbamoyl}-1-methylethan-1-aminium BDBM50403624 GTPL5867 MK677 1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-2-methylpropanamide [3a(MK-0677)] AC-25509 CHEMBL542653 L 163191 Propanamide, 2-amino-N-((1R)-2-(1,2-dihydro-1-(methylsulfonyl)spiro(3H-indole-3,4'-piperidin)-1'-yl)-2-oxo-1-((phenylmethoxy)methyl)ethyl)-2-methyl- 2-Amino-N-[(1R)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4'-piperidin]-1'-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-2-methylpropanamide AN-16831 FT-0697768 MK-0667 UNII-GJ0EGN38UL 159634-47-6 NCGC00263115-01 1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-2-methylpropanamide(MK-0677) AC1L4346 D02NEH L-163,191 Propanamide, 2-amino-N-(2-(1,2-dihydro-1-(methylsulfonyl)spiro(3H-indole-3,4'-piperidin)-1'-yl)-2-oxo-1-((phenylmethoxy)methyl)ethyl)-2-methyl-, (R)- [ Show all ]
Inchi Key	UMUPQWIGCOZEOY-JOCHJYFZSA-N
Inchi ID	InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
PubChem CID	178024
ChEMBL	CHEMBL13817
IUPHAR	5867
BindingDB	50049478, 50403624
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.19 - 2.4 nM	PMID15905359, PMID10427162	IUPHAR
EC50	0.1995 nM	PMID23281966	ChEMBL
EC50	1.3 nM	PMID17329109	BindingDB,ChEMBL
EC50	1.349 nM	PMID17329109	ChEMBL
EC50	1.4 nM	PMID11459669	BindingDB
EC50	1.43 nM	PMID11459669	ChEMBL
GH peak	5.4 ug l-1	PMID12646029	ChEMBL
IC50	0.4 nM	PMID14761190	BindingDB,ChEMBL
IC50	0.51 nM	PMID12477342	BindingDB,ChEMBL
IC50	0.63 nM	PMID11459669	ChEMBL
IC50	0.63 nM	PMID11459669	BindingDB
IC50	0.76 nM	PMID12646029	BindingDB,ChEMBL
IC50	32.0 nM	PMID12646029	BindingDB,ChEMBL
IC50	300.0 nM	PMID10636230	BindingDB,ChEMBL
Kd	0.14 nM	PMID9703459	BindingDB,ChEMBL
Ki	0.24 nM	PMID8627599	BindingDB,ChEMBL
Ki	0.46 nM	PMID10427162	IUPHAR
Ki	10.2 nM	PMID23839942	BindingDB
Ki	65.8 nM	PMID23839942	BindingDB
Ki	68.4 nM	PMID23839942	BindingDB