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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

NameCHEMBL1079622
Molecular formulaC26H23ClN4O2
IUPAC name[(2S)-4-[5-(2-chlorophenyl)pyridine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-indol-6-yl)methanone
Molecular weight458.946
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50312790
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(5-(2-chlorophenyl)pyridin-2-yl)methanone
Inchi KeyAURAUMNYCSFCEU-KRWDZBQOSA-N
Inchi IDInChI=1S/C26H23ClN4O2/c1-17-16-30(12-13-31(17)25(32)19-7-6-18-10-11-28-24(18)14-19)26(33)23-9-8-20(15-29-23)21-4-2-3-5-22(21)27/h2-11,14-15,17,28H,12-13,16H2,1H3/t17-/m0/s1
PubChem CID46880770
ChEMBLCHEMBL1079622
IUPHARN/A
BindingDB50312790
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5037.2 nMPMID20137933BindingDB,ChEMBL

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