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GPCR

NameGrowth hormone secretagogue receptor type 1
SpeciesHomo sapiens (Human)
GeneGHSR
Synonymghrelin receptor 1a
ghrelin receptor
GH-releasing peptide receptor
GHS-R
growth hormone-releasing peptide receptor
[ Show all ]
DiseaseN/A
Length366
Amino acid sequenceMWNATPSEEPGFNLTLADLDWDASPGNDSLGDELLQLFPAPLLAGVTATCVALFVVGIAGNLLTMLVVSRFRELRTTTNLYLSSMAFSDLLIFLCMPLDLVRLWQYRPWNFGDLLCKLFQFVSESCTYATVLTITALSVERYFAICFPLRAKVVVTKGRVKLVIFVIWAVAFCSAGPIFVLVGVEHENGTDPWDTNECRPTEFAVRSGLLTVMVWVSSIFFFLPVFCLTVLYSLIGRKLWRRRRGDAVVGASLRDQNHKQTVKMLAVVVFAFILCWLPFHVGRYLFSKSFEPGSLEIAQISQYCNLVSFVLFYLSAAINPILYNIMSKKYRVAVFRLLGFEPFSQRKLSTLKDESSRAWTESSINT
UniProtQ92847
Protein Data BankN/A
GPCR-HGmod modelQ92847
3D structure modelThis predicted structure model is from GPCR-EXP Q92847.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4616
IUPHAR246
DrugBankBE0003383

Ligand

NameCHEMBL222789
Molecular formulaC33H34BrN7O
IUPAC name2-amino-N-[(1R)-1-[4-[(4-bromophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
Molecular weight624.587
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP5.0
SynonymsSCHEMBL3631262
BDBM50208672
(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-bromobenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
Inchi KeyARHSHAJHTRTUQE-GDLZYMKVSA-N
Inchi IDInChI=1S/C33H34BrN7O/c1-33(2,35)32(42)38-29(17-23-19-37-28-10-6-4-8-26(23)28)31-40-39-30(41(31)20-21-11-14-24(34)15-12-21)16-13-22-18-36-27-9-5-3-7-25(22)27/h3-12,14-15,18-19,29,36-37H,13,16-17,20,35H2,1-2H3,(H,38,42)/t29-/m1/s1
PubChem CID16113471
ChEMBLCHEMBL222789
IUPHARN/A
BindingDB50208672
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity27.0 %PMID17375904ChEMBL
IC50100.0 nMPMID17375904BindingDB,ChEMBL

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