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GPCR

NameGrowth hormone secretagogue receptor type 1
SpeciesHomo sapiens (Human)
GeneGHSR
Synonymghrelin receptor
GH-releasing peptide receptor
GHRP
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

NameCHEMBL1088037
Molecular formulaC26H22F2N4O2
IUPAC name[(2S)-4-[3-fluoro-4-(3-fluoropyridin-4-yl)benzoyl]-2-methylpiperazin-1-yl]-(1H-indol-6-yl)methanone
Molecular weight460.485
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50312800
((S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(3-fluoro-4-(3-fluoropyridin-4-yl)phenyl)methanone
Inchi KeyNXYIECURMPFRGT-INIZCTEOSA-N
Inchi IDInChI=1S/C26H22F2N4O2/c1-16-15-31(10-11-32(16)26(34)19-3-2-17-6-9-30-24(17)13-19)25(33)18-4-5-20(22(27)12-18)21-7-8-29-14-23(21)28/h2-9,12-14,16,30H,10-11,15H2,1H3/t16-/m0/s1
PubChem CID46880845
ChEMBLCHEMBL1088037
IUPHARN/A
BindingDB50312800
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5042.0 nMPMID20137933BindingDB,ChEMBL

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