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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

NameCHEMBL425594
Molecular formulaC26H27N5O3S
IUPAC name5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
Molecular weight489.594
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.0
SynonymsSCHEMBL6363980
BDBM19387
AMXPCCCIUNIREO-UHFFFAOYSA-N
2,4-diaminopyrimidine derivative, 8c
6-[(Benzyloxy)methyl]-5-(4-{[4-(methylsulfonyl)benzyl]amino}phenyl)pyrimidine-2,4-diamine
[ Show all ]
Inchi KeyAMXPCCCIUNIREO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27N5O3S/c1-35(32,33)22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-34-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)
PubChem CID11225576
ChEMBLCHEMBL425594
IUPHARN/A
BindingDB19387
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC507.2 nMPMID16610800BindingDB
IC500.3 nMPMID16442284, PMID16610800BindingDB,ChEMBL
IC507.1 nMPMID16442284BindingDB,ChEMBL
IC507.2 nMPMID16610800ChEMBL

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