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GPCR

NameGrowth hormone secretagogue receptor type 1
SpeciesHomo sapiens (Human)
GeneGHSR
Synonymghrelin receptor
GH-releasing peptide receptor
GHRP
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

NameCHEMBL3578017
Molecular formulaC139H206N38O28
IUPAC name(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-acetamido-3-[[4-[[(2S)-6-amino-1-[[(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-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
Molecular weight2857.42
Hydrogen bond acceptor33
Hydrogen bond donor40
XlogP2.1
SynonymsBDBM50089439
Inchi KeyNAITVKNZDVDBSV-DFJVIGTOSA-N
Inchi IDInChI=1S/C139H206N38O28/c1-73(2)56-98(117(143)186)164-125(194)101(58-75(5)6)167-131(200)108(66-86-69-155-92-35-21-20-34-91(86)92)174-129(198)105(63-81-28-16-15-17-29-81)171-130(199)107(65-85-32-24-31-84-30-18-19-33-90(84)85)173-119(188)93(36-22-23-52-140)159-115(185)51-50-114(184)156-71-111(158-80(14)179)135(204)170-100(57-74(3)4)124(193)161-95(38-26-54-153-138(147)148)122(191)175-109(67-87-70-151-72-157-87)132(201)172-106(64-83-42-46-89(181)47-43-83)128(197)166-103(60-77(9)10)127(196)176-110(68-113(142)183)133(202)168-102(59-76(7)8)126(195)169-104(61-78(11)12)134(203)177-116(79(13)178)136(205)163-96(39-27-55-154-139(149)150)120(189)162-97(48-49-112(141)182)123(192)160-94(37-25-53-152-137(145)146)121(190)165-99(118(144)187)62-82-40-44-88(180)45-41-82/h15-21,24,28-35,40-47,69-70,72-79,93-111,116,155,178,180-181H,22-23,25-27,36-39,48-68,71,140H2,1-14H3,(H2,141,182)(H2,142,183)(H2,143,186)(H2,144,187)(H,151,157)(H,156,184)(H,158,179)(H,159,185)(H,160,192)(H,161,193)(H,162,189)(H,163,205)(H,164,194)(H,165,190)(H,166,197)(H,167,200)(H,168,202)(H,169,195)(H,170,204)(H,171,199)(H,172,201)(H,173,188)(H,174,198)(H,175,191)(H,176,196)(H,177,203)(H4,145,146,152)(H4,147,148,153)(H4,149,150,154)/t79-,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107-,108-,109+,110+,111?,116+/m1/s1
PubChem CID122178188
ChEMBLCHEMBL3578017
IUPHARN/A
BindingDB50089439
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5039.81 nMPMID25905598ChEMBL
EC5040.0 nMPMID25905598BindingDB
EC5041.7 nMPMID25905598ChEMBL
EC5042.0 nMPMID25905598BindingDB
Efficacy82.0 %PMID25905598ChEMBL
IC5097.0 nMPMID25905598BindingDB
IC5097.1 nMPMID25905598ChEMBL
IC5097.72 nMPMID25905598ChEMBL
IC5098.0 nMPMID25905598BindingDB

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