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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

NameCHEMBL3822981
Molecular formulaC158H236N42O47
IUPAC name(4S)-5-[[1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-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]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-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]-3-(1H-indol-3-yl)-1-oxopropan-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 weight3475.87
Hydrogen bond acceptor51
Hydrogen bond donor50
XlogP-10.9
SynonymsBDBM50184065
Inchi KeyJKBFCHWPWWHEOV-WUWMMSSFSA-N
Inchi IDInChI=1S/C158H236N42O47/c1-18-22-42-96(180-137(227)99(48-50-120(210)211)181-145(235)110(64-122(214)215)192-152(242)114(73-202)195-141(231)103(56-85-36-25-23-26-37-85)186-151(241)113(72-201)177-119(209)71-172-134(224)109(63-121(212)213)176-118(208)70-171-133(223)92(160)60-89-69-167-74-173-89)135(225)187-106(59-88-68-170-94-44-32-30-41-91(88)94)150(240)200-129(84(17)204)157(247)198-127(80(13)21-4)155(245)193-101(54-76(7)8)140(230)191-112(66-124(218)219)147(237)189-107(61-116(162)206)143(233)183-100(53-75(5)6)139(229)175-81(14)131(221)174-82(15)132(222)179-97(46-35-52-168-158(165)166)136(226)190-111(65-123(216)217)146(236)185-104(57-86-38-27-24-28-39-86)149(239)197-126(79(12)20-3)154(244)194-108(62-117(163)207)144(234)188-105(58-87-67-169-93-43-31-29-40-90(87)93)142(232)184-102(55-77(9)10)148(238)196-125(78(11)19-2)153(243)182-98(47-49-115(161)205)138(228)199-128(83(16)203)156(246)178-95(130(164)220)45-33-34-51-159/h23-32,36-41,43-44,67-69,74-84,92,95-114,125-129,169-170,201-204H,18-22,33-35,42,45-66,70-73,159-160H2,1-17H3,(H2,161,205)(H2,162,206)(H2,163,207)(H2,164,220)(H,167,173)(H,171,223)(H,172,224)(H,174,221)(H,175,229)(H,176,208)(H,177,209)(H,178,246)(H,179,222)(H,180,227)(H,181,235)(H,182,243)(H,183,233)(H,184,232)(H,185,236)(H,186,241)(H,187,225)(H,188,234)(H,189,237)(H,190,226)(H,191,230)(H,192,242)(H,193,245)(H,194,244)(H,195,231)(H,196,238)(H,197,239)(H,198,247)(H,199,228)(H,200,240)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,165,166,168)/t78-,79-,80-,81-,82-,83+,84+,92-,95-,96?,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-,129-/m0/s1
PubChem CID127052019
ChEMBLCHEMBL3822981
IUPHARN/A
BindingDB50184065
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
EC5056.0 nMPMID26986178BindingDB,ChEMBL
Efficacy35.0 %PMID26986178ChEMBL

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