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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

NameSCHEMBL13018951
Molecular formulaC33H37N7O2
IUPAC nameN-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]piperazine-2-carboxamide
Molecular weight563.706
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.5
SynonymsBDBM19345
Trisubstituted 1,2,4-Triazole, 53
N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}ethyl]piperazine-2-carboxamide
Inchi KeyAVTOEUFCBKGYLY-IDCGIGBZSA-N
Inchi IDInChI=1S/C33H37N7O2/c1-42-26-14-11-24(12-15-26)22-40-31(16-13-23-7-3-2-4-8-23)38-39-32(40)29(37-33(41)30-21-34-17-18-35-30)19-25-20-36-28-10-6-5-9-27(25)28/h2-12,14-15,20,29-30,34-36H,13,16-19,21-22H2,1H3,(H,37,41)/t29-,30?/m1/s1
PubChem CID23648255
ChEMBLN/A
IUPHARN/A
BindingDB19345
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5012.0 nMPMID17927165BindingDB
IC5054.0 nMPMID17927165BindingDB

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