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GPCR

NameGlucagon-like peptide 1 receptor
SpeciesHomo sapiens (Human)
GeneGLP1R
Synonymglucagon-like peptide 1 receptor
GLP-1R
GLP-1-R
GLP-1 receptor
DiseaseType 1/2 diabetes
Type 1 diabetes
Obesity
Non-insulin dependent diabetes
Non-alcoholic steatohepatitis
[ Show all ]
Length463
Amino acid sequenceMAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS
UniProtP43220
Protein Data Bank5vex, 3c59, 3c5t, 5nx2, 3iol, 4zgm, 5otu, 5vew, 5otw, 5otx, 5otv
GPCR-HGmod modelP43220
3D structure modelThis structure is from PDB ID 5vex.
BioLiPBL0418498,BL0418499, BL0143794, BL0143795, BL0167479, BL0167480, BL0324354, BL0324355,BL0324356, BL0378791,BL0378792, BL0379513,BL0379514, BL0418500,BL0418501, BL0380967, BL0418494,BL0418495, BL0418496,BL0418497, BL0143732, BL0143731, BL0380966
Therapeutic Target DatabaseT36075
ChEMBLCHEMBL1784
IUPHAR249
DrugBankBE0000857

Ligand

NameCHEMBL3823835
Molecular formulaC159H242N40O47
IUPAC name(4S)-5-[[1-[[(2R)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
Molecular weight3465.92
Hydrogen bond acceptor51
Hydrogen bond donor49
XlogP-8.8
SynonymsBDBM50183654
Inchi KeyLIMUITQZTIHEHW-PYNTZIQSSA-N
Inchi IDInChI=1S/C159H242N40O47/c1-20-24-46-97(177-137(225)100(51-53-120(209)210)178-145(233)111(67-122(213)214)190-152(240)115(75-201)193-142(230)105(60-88-39-28-25-29-40-88)186-151(239)114(74-200)175-119(208)73-171-134(222)110(66-121(211)212)174-118(207)72-170-133(221)94(161)64-92-71-167-76-172-92)135(223)184-107(62-90-43-32-27-33-44-90)150(238)199-130(87(19)204)158(246)196-127(83(15)23-4)155(243)191-103(58-79(9)10)141(229)189-113(69-124(217)218)146(234)182-102(57-78(7)8)140(228)181-101(56-77(5)6)139(227)173-84(16)132(220)197-128(85(17)202)157(245)179-98(49-38-55-168-159(165)166)136(224)188-112(68-123(215)216)147(235)185-106(61-89-41-30-26-31-42-89)149(237)195-126(82(14)22-3)154(242)192-109(65-117(163)206)144(232)187-108(63-91-70-169-95-47-35-34-45-93(91)95)143(231)183-104(59-80(11)12)148(236)194-125(81(13)21-2)153(241)180-99(50-52-116(162)205)138(226)198-129(86(18)203)156(244)176-96(131(164)219)48-36-37-54-160/h25-35,39-45,47,70-71,76-87,94,96-115,125-130,169,200-204H,20-24,36-38,46,48-69,72-75,160-161H2,1-19H3,(H2,162,205)(H2,163,206)(H2,164,219)(H,167,172)(H,170,221)(H,171,222)(H,173,227)(H,174,207)(H,175,208)(H,176,244)(H,177,225)(H,178,233)(H,179,245)(H,180,241)(H,181,228)(H,182,234)(H,183,231)(H,184,223)(H,185,235)(H,186,239)(H,187,232)(H,188,224)(H,189,229)(H,190,240)(H,191,243)(H,192,242)(H,193,230)(H,194,236)(H,195,237)(H,196,246)(H,197,220)(H,198,226)(H,199,238)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H4,165,166,168)/t81-,82-,83-,84-,85+,86+,87+,94-,96-,97?,98-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108-,109-,110-,111-,112-,113-,114-,115-,125-,126-,127-,128-,129-,130-/m0/s1
PubChem CID127052654
ChEMBLCHEMBL3823835
IUPHARN/A
BindingDB50183654
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
EC50130.0 nMPMID26986178BindingDB,ChEMBL

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