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GPCR

NameGrowth hormone secretagogue receptor type 1
SpeciesOryctolagus cuniculus (Rabbit)
GeneGHSR
SynonymGH-releasing peptide receptor
Ghrelin receptor
GHRP
GHS-R
DiseaseN/A for non-human GPCRs
Length366
Amino acid sequenceMWNATPSEEPGSNLTRAELGWDAPPGNDSLADELLQLFPAPLLAGVTATCVALFVVGIAGNLLTMLVVSRFRELRTTTNLYLSSMAFSDLLIFLCMPLDLVRLWQYRPWNFGDLLCKLFQFVSESCTYATVLTITALSVERYFAICFPLRAKVVVTKGRVKLVILVIWALAFCSAGPIFVLVGVEHENGTDPQDTNECRATEFAVRSGLLTIMVWVSSVFFFLPVFCLTVLYSLIGRKLWRRKRGDGAVGSSLRDQNHRQTVKMLAVVVFAFILCWLPFHVGRYLFSKSFEPGSLEIAQISQYCNLVSFVLFYLSAAINPILYNIMSKKYRVAVFKLLGFEPFSQRKLSTLKDESSRAWTKSSINT
UniProtA5A4K9
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5307
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL501315
Molecular formulaC36H48N4O2
IUPAC name3-cyclohexyl-1-[[2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-1-[2-(3-methoxyphenyl)ethyl]urea
Molecular weight568.806
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.5
Synonyms3-cyclohexyl-1-((4''-(((3S,5R)-3,5-dimethylpiperazin-1-yl)methyl)biphenyl-2-yl)methyl)-1-(3-methoxyphenethyl)urea
BDBM50254851
3-Cyclohexyl-1-[4''-((3R,5S)-3,5-dimethyl-piperazin-1-ylmethyl)-biphenyl-2-ylmethyl]-1-[2-(3-methoxy-phenyl)-ethyl]-urea
Inchi KeyGNURRCJPQXKFTN-HNRBIFIRSA-N
Inchi IDInChI=1S/C36H48N4O2/c1-27-23-39(24-28(2)37-27)25-30-16-18-31(19-17-30)35-15-8-7-11-32(35)26-40(36(41)38-33-12-5-4-6-13-33)21-20-29-10-9-14-34(22-29)42-3/h7-11,14-19,22,27-28,33,37H,4-6,12-13,20-21,23-26H2,1-3H3,(H,38,41)/t27-,28+
PubChem CID16752689
ChEMBLCHEMBL501315
IUPHARN/A
BindingDB50254851
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50125.89 nMPMID18980843BindingDB,ChEMBL

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