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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

NameCHEMBL3823133
Molecular formulaC172H262N42O53
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2R)-2-[2-[[(2S)-2-[[(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]-4-carboxybutanoyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid
Molecular weight3766.23
Hydrogen bond acceptor57
Hydrogen bond donor53
XlogP-8.5
SynonymsBDBM50183655
Inchi KeyCVEXCTQHWBFDLL-LXXNCNORSA-N
Inchi IDInChI=1S/C172H262N42O53/c1-23-28-50-103(190-147(242)107(55-57-128(224)225)191-156(251)118(71-130(228)229)203-163(258)123(80-216)207-153(248)112(64-95-43-32-29-33-44-95)199-162(257)122(79-215)188-127(223)78-183-144(239)117(70-129(226)227)187-126(222)77-182-143(238)101(174)68-99-76-179-81-184-99)145(240)197-114(66-97-47-36-31-37-48-97)161(256)213-140(94(22)219)170(265)211-136(88(16)26-4)166(261)204-110(62-84(10)11)152(247)202-120(73-132(232)233)157(252)195-109(61-83(8)9)151(246)194-108(60-82(6)7)150(245)186-90(18)141(236)185-91(19)142(237)189-105(53-42-59-180-172(177)178)146(241)201-119(72-131(230)231)158(253)198-113(65-96-45-34-30-35-46-96)160(255)210-135(87(15)25-3)165(260)205-116(69-125(176)221)155(250)200-115(67-98-75-181-102-51-39-38-49-100(98)102)154(249)196-111(63-85(12)13)159(254)209-134(86(14)24-2)164(259)193-106(54-56-124(175)220)149(244)212-138(92(20)217)168(263)192-104(52-40-41-58-173)148(243)208-137(89(17)27-5)167(262)214-139(93(21)218)169(264)206-121(171(266)267)74-133(234)235/h29-39,43-49,51,75-76,81-94,101,103-123,134-140,181,215-219H,23-28,40-42,50,52-74,77-80,173-174H2,1-22H3,(H2,175,220)(H2,176,221)(H,179,184)(H,182,238)(H,183,239)(H,185,236)(H,186,245)(H,187,222)(H,188,223)(H,189,237)(H,190,242)(H,191,251)(H,192,263)(H,193,259)(H,194,246)(H,195,252)(H,196,249)(H,197,240)(H,198,253)(H,199,257)(H,200,250)(H,201,241)(H,202,247)(H,203,258)(H,204,261)(H,205,260)(H,206,264)(H,207,248)(H,208,243)(H,209,254)(H,210,255)(H,211,265)(H,212,244)(H,213,256)(H,214,262)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,266,267)(H4,177,178,180)/t86-,87-,88-,89-,90-,91-,92+,93+,94+,101-,103?,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+,115-,116-,117-,118-,119-,120-,121-,122-,123-,134-,135-,136-,137-,138-,139-,140-/m0/s1
PubChem CID127049562
ChEMBLCHEMBL3823133
IUPHARN/A
BindingDB50183655
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
EC50<1000.0 nMPMID26986178BindingDB,ChEMBL

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