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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

NameCHEMBL3578018
Molecular formulaC145H218N40O29
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-[[(2S)-6-amino-1-[[(2S)-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]-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 weight2985.59
Hydrogen bond acceptor35
Hydrogen bond donor42
XlogP1.6
SynonymsBDBM50089440
Inchi KeyKDBNIHDNBCRMOL-CAPRCHIVSA-N
Inchi IDInChI=1S/C145H218N40O29/c1-77(2)60-103(122(150)194)172-131(203)106(62-79(5)6)175-137(209)113(70-90-73-162-96-37-21-20-36-95(90)96)182-135(207)110(67-85-30-16-15-17-31-85)179-136(208)112(69-89-34-26-33-88-32-18-19-35-94(88)89)181-127(199)98(39-23-25-56-147)167-124(196)97(38-22-24-55-146)166-120(193)54-53-119(192)163-75-116(165-84(14)187)141(213)178-105(61-78(3)4)130(202)169-100(41-28-58-160-144(154)155)128(200)183-114(71-91-74-158-76-164-91)138(210)180-111(68-87-45-49-93(189)50-46-87)134(206)174-108(64-81(9)10)133(205)184-115(72-118(149)191)139(211)176-107(63-80(7)8)132(204)177-109(65-82(11)12)140(212)185-121(83(13)186)142(214)171-101(42-29-59-161-145(156)157)125(197)170-102(51-52-117(148)190)129(201)168-99(40-27-57-159-143(152)153)126(198)173-104(123(151)195)66-86-43-47-92(188)48-44-86/h15-21,26,30-37,43-50,73-74,76-83,97-116,121,162,186,188-189H,22-25,27-29,38-42,51-72,75,146-147H2,1-14H3,(H2,148,190)(H2,149,191)(H2,150,194)(H2,151,195)(H,158,164)(H,163,192)(H,165,187)(H,166,193)(H,167,196)(H,168,201)(H,169,202)(H,170,197)(H,171,214)(H,172,203)(H,173,198)(H,174,206)(H,175,209)(H,176,211)(H,177,204)(H,178,213)(H,179,208)(H,180,210)(H,181,199)(H,182,207)(H,183,200)(H,184,205)(H,185,212)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t83-,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113-,114+,115+,116?,121+/m1/s1
PubChem CID122178189
ChEMBLCHEMBL3578018
IUPHARN/A
BindingDB50089440
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
EC50100.0 nMPMID25905598BindingDB,ChEMBL
EC50109.6 nMPMID25905598ChEMBL
EC50110.0 nMPMID25905598BindingDB
Efficacy78.0 %PMID25905598ChEMBL
IC5070.0 nMPMID25905598BindingDB
IC5070.4 nMPMID25905598ChEMBL
IC5070.79 nMPMID25905598ChEMBL
IC5071.0 nMPMID25905598BindingDB

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