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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameGlucagon-like peptide 1 receptor
SpeciesRattus norvegicus (Rat)
GeneGlp1r
SynonymGLP-1 receptor
GLP-1-R
GLP-1R
glucagon-like peptide 1 receptor
DiseaseN/A for non-human GPCRs
Length463
Amino acid sequenceMAVTPSLLRLALLLLGAVGRAGPRPQGATVSLSETVQKWREYRHQCQRFLTEAPLLATGLFCNRTFDDYACWPDGPPGSFVNVSCPWYLPWASSVLQGHVYRFCTAEGIWLHKDNSSLPWRDLSECEESKQGERNSPEEQLLSLYIIYTVGYALSFSALVIASAILVSFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLGCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVFSEQRIFKLYLSIGWGVPLLFVIPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLVFIRVICIVIAKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFVKLFTELSFTSFQGFMVAVLYCFVNNEVQMEFRKSWERWRLERLNIQRDSSMKPLKCPTSSVSSGATVGSSVYAATCQNSCS
UniProtP32301
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5862
IUPHARN/A
DrugBankN/A

Ligand

NameCID 46883767
Molecular formulaC208H319N49O63S
IUPAC name(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-6-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]oxy-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Molecular weight4546.18
Hydrogen bond acceptor68
Hydrogen bond donor58
XlogP-11.4
SynonymsN/A
Inchi KeyGCHBNWIZQJCAGZ-QSACVTEBSA-N
Inchi IDInChI=1S/C208H319N49O63S/c1-19-108(10)169(199(313)237-135(60-67-166(282)283)185(299)241-141(86-116-91-219-126-42-27-26-41-120(116)126)189(303)239-137(81-104(2)3)187(301)229-128(44-29-31-74-217-156(268)62-50-109(11)122-53-54-123-121-52-51-117-87-119(265)68-71-207(117,16)124(121)69-72-208(122,123)17)180(294)242-142(89-155(212)267)176(290)222-93-157(269)220-97-161(273)254-76-33-46-149(254)195(309)247-146(100-260)194(308)246-145(99-259)177(291)224-94-158(270)226-111(13)202(316)256-78-35-48-151(256)204(318)257-79-36-49-152(257)203(317)255-77-34-47-150(255)196(310)245-144(98-258)172(213)286)252-190(304)139(84-114-37-22-20-23-38-114)240-188(302)138(82-105(4)5)238-181(295)129(45-32-75-218-206(214)215)236-198(312)168(107(8)9)251-173(287)110(12)227-178(292)132(57-64-163(276)277)232-183(297)133(58-65-164(278)279)233-184(298)134(59-66-165(280)281)234-186(300)136(70-80-321-18)235-182(296)131(55-61-154(211)266)231-179(293)127(43-28-30-73-209)230-192(306)147(101-261)248-197(311)153(83-106(6)7)320-205(319)143(90-167(284)285)244-193(307)148(102-262)249-201(315)171(113(15)264)253-191(305)140(85-115-39-24-21-25-40-115)243-200(314)170(112(14)263)250-160(272)96-223-175(289)130(56-63-162(274)275)228-159(271)95-221-174(288)125(210)88-118-92-216-103-225-118/h20-27,37-42,91-92,103-113,117,119,121-125,127-153,168-171,219,258-265H,19,28-36,43-90,93-102,209-210H2,1-18H3,(H2,211,266)(H2,212,267)(H2,213,286)(H,216,225)(H,217,268)(H,220,269)(H,221,288)(H,222,290)(H,223,289)(H,224,291)(H,226,270)(H,227,292)(H,228,271)(H,229,301)(H,230,306)(H,231,293)(H,232,297)(H,233,298)(H,234,300)(H,235,296)(H,236,312)(H,237,313)(H,238,295)(H,239,303)(H,240,302)(H,241,299)(H,242,294)(H,243,314)(H,244,307)(H,245,310)(H,246,308)(H,247,309)(H,248,311)(H,249,315)(H,250,272)(H,251,287)(H,252,304)(H,253,305)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H4,214,215,218)/t108-,109+,110-,111-,112+,113+,117+,119+,121-,122+,123-,124-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,168-,169-,170-,171-,207-,208+/m0/s1
PubChem CID46883767
ChEMBLCHEMBL1092708
IUPHARN/A
BindingDB50314041
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
Efficacy93.8 %PMID19827752ChEMBL
IC500.58 nMPMID19827752BindingDB,ChEMBL
Ratio IC503.0 -PMID19827752ChEMBL

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