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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

NameDwFwLL-NH2
Molecular formulaC47H59N9O8
IUPAC name(3S)-3-amino-4-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight878.044
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP1.9
SynonymsCHEMBL449590
D0L3AP
BDBM50260274
Inchi KeyAYYVHEGPWNZVTO-YAQHVWCZSA-N
Inchi IDInChI=1S/C47H59N9O8/c1-26(2)18-36(42(49)59)52-44(61)37(19-27(3)4)54-47(64)40(22-30-25-51-35-17-11-9-15-32(30)35)56-45(62)38(20-28-12-6-5-7-13-28)55-46(63)39(53-43(60)33(48)23-41(57)58)21-29-24-50-34-16-10-8-14-31(29)34/h5-17,24-27,33,36-40,50-51H,18-23,48H2,1-4H3,(H2,49,59)(H,52,61)(H,53,60)(H,54,64)(H,55,63)(H,56,62)(H,57,58)/t33-,36-,37-,38-,39+,40+/m0/s1
PubChem CID44576251
ChEMBLCHEMBL449590
IUPHARN/A
BindingDB50260274
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
FC14.0 -PMID17371869ChEMBL
FC19.0 -PMID17371869ChEMBL
IC5060.0 nMPMID17371869BindingDB,ChEMBL
IC50260.0 nMPMID17371869BindingDB,ChEMBL

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