Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●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

You can:

GPCR

NameGlucagon receptor
SpeciesRattus norvegicus (Rat)
GeneGcgr
SynonymGGR
GL-R
glucagon receptor
GR
DiseaseN/A for non-human GPCRs
Length485
Amino acid sequenceMLLTQLHCPYLLLLLVVLSCLPKAPSAQVMDFLFEKWKLYSDQCHHNLSLLPPPTELVCNRTFDKYSCWPDTPPNTTANISCPWYLPWYHKVQHRLVFKRCGPDGQWVRGPRGQSWRDASQCQMDDDEIEVQKGVAKMYSSYQVMYTVGYSLSLGALLLALVILLGLRKLHCTRNYIHGNLFASFVLKAGSVLVIDWLLKTRYSQKIGDDLSVSVWLSDGAVAGCRVATVIMQYGIIANYCWLLVEGVYLYSLLSITTFSEKSFFSLYLCIGWGSPLLFVIPWVVVKCLFENVQCWTSNDNMGFWWILRIPVLLAILINFFIFVRIIHLLVAKLRAHQMHYADYKFRLARSTLTLIPLLGVHEVVFAFVTDEHAQGTLRSTKLFFDLFFSSFQGLLVAVLYCFLNKEVQAELLRRWRRWQEGKALQEERMASSHGSHMAPAGTCHGDPCEKLQLMSAGSSSGTGCEPSAKTSLASSLPRLADSPT
UniProtP30082
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4720
IUPHAR251
DrugBankN/A

Ligand

NameCID 44319561
Molecular formulaC138H210N40O46S
IUPAC name(3R)-3-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R,3S)-2-[[2-[[(2R)-5-amino-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-4-amino-1-[[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight3197.49
Hydrogen bond acceptor51
Hydrogen bond donor50
XlogP-19.2
SynonymsN/A
Inchi KeyCSJGHABRQYYVSK-CMCAZCFKSA-N
Inchi IDInChI=1S/C138H210N40O46S/c1-63(2)47-86(121(209)160-85(42-46-225-11)120(208)168-92(53-102(144)191)130(218)177-108(67(8)183)111(145)199)163-125(213)91(52-73-57-152-78-24-16-15-23-76(73)78)167-119(207)84(38-41-101(143)190)161-134(222)107(65(5)6)176-129(217)90(49-70-21-13-12-14-22-70)166-126(214)93(54-104(193)194)169-118(206)83(37-40-100(142)189)155-112(200)66(7)154-115(203)80(26-19-44-150-137(146)147)157-116(204)81(27-20-45-151-138(148)149)159-132(220)97(61-181)173-128(216)95(56-106(197)198)170-122(210)87(48-64(3)4)162-123(211)88(50-71-28-32-74(186)33-29-71)164-117(205)79(25-17-18-43-139)158-131(219)96(60-180)172-124(212)89(51-72-30-34-75(187)35-31-72)165-127(215)94(55-105(195)196)171-133(221)98(62-182)174-135(223)110(69(10)185)178-136(224)109(68(9)184)175-103(192)58-153-114(202)82(36-39-99(141)188)156-113(201)77(140)59-179/h12-16,21-24,28-35,57,63-69,77,79-98,107-110,152,179-187H,17-20,25-27,36-56,58-62,139-140H2,1-11H3,(H2,141,188)(H2,142,189)(H2,143,190)(H2,144,191)(H2,145,199)(H,153,202)(H,154,203)(H,155,200)(H,156,201)(H,157,204)(H,158,219)(H,159,220)(H,160,209)(H,161,222)(H,162,211)(H,163,213)(H,164,205)(H,165,215)(H,166,214)(H,167,207)(H,168,208)(H,169,206)(H,170,210)(H,171,221)(H,172,212)(H,173,216)(H,174,223)(H,175,192)(H,176,217)(H,177,218)(H,178,224)(H,193,194)(H,195,196)(H,197,198)(H4,146,147,150)(H4,148,149,151)/t66-,67+,68+,69+,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-,110-/m1/s1
PubChem CID44319561
ChEMBLCHEMBL429198
IUPHARN/A
BindingDB50059360
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
Activity0.0 %PMID9258362ChEMBL
Activity1.2 %PMID9258362ChEMBL
IC50128.0 nMPMID9258362BindingDB,ChEMBL
Kd562.0 nMPMID9258362BindingDB
Kd562.34 nMPMID9258362ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417