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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

NameCHEMBL204474
Molecular formulaC26H23N5O2
IUPAC name4-[[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenoxy]methyl]benzonitrile
Molecular weight437.503
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.5
SynonymsSCHEMBL3636011
BDBM19402
2,4-diaminopyrimidine derivative, 10b
Inchi KeyAQYMUQIJCIMKFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H23N5O2/c27-14-18-6-8-20(9-7-18)16-33-22-12-10-21(11-13-22)24-23(30-26(29)31-25(24)28)17-32-15-19-4-2-1-3-5-19/h1-13H,15-17H2,(H4,28,29,30,31)
PubChem CID11166495
ChEMBLCHEMBL204474
IUPHARN/A
BindingDB19402
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC503610.0 nMPMID16610800BindingDB
IC5083.0 nMPMID16610800BindingDB,ChEMBL
IC503610.0 nMPMID16610800ChEMBL

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