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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

NameBDBM50059358
Molecular formulaC148H221N41O48S
IUPAC name(4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(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]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2R)-2-[[(2R,3S)-2-[[(2R)-2-[[(2R,3S)-2-[[2-[[(2R)-5-amino-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
Molecular weight3374.7
Hydrogen bond acceptor53
Hydrogen bond donor54
XlogP-17.1
Synonyms[des-His1, Tyr6,Glu9] glucagon-NH2
Inchi KeyVQVJJJRTOWZMLN-NJKJEVGOSA-N
Inchi IDInChI=1S/C148H221N41O48S/c1-69(2)53-95(131(222)171-94(48-52-238-11)130(221)179-102(60-111(154)203)140(231)188-117(73(8)194)120(155)211)174-135(226)101(59-80-63-162-86-24-16-15-23-84(80)86)178-128(219)92(42-46-110(153)202)172-144(235)116(71(5)6)187-138(229)99(55-76-21-13-12-14-22-76)177-136(227)103(61-114(207)208)180-127(218)91(41-45-109(152)201)165-121(212)72(7)164-124(215)88(26-19-50-160-147(156)157)167-125(216)89(27-20-51-161-148(158)159)169-142(233)106(67-192)184-137(228)104(62-115(209)210)181-132(223)96(54-70(3)4)173-133(224)97(56-77-28-34-81(197)35-29-77)175-126(217)87(25-17-18-49-149)168-141(232)105(66-191)183-134(225)98(57-78-30-36-82(198)37-31-78)176-129(220)93(43-47-113(205)206)170-143(234)107(68-193)185-146(237)119(75(10)196)189-139(230)100(58-79-32-38-83(199)39-33-79)182-145(236)118(74(9)195)186-112(204)64-163-123(214)90(40-44-108(151)200)166-122(213)85(150)65-190/h12-16,21-24,28-39,63,69-75,85,87-107,116-119,162,190-199H,17-20,25-27,40-62,64-68,149-150H2,1-11H3,(H2,151,200)(H2,152,201)(H2,153,202)(H2,154,203)(H2,155,211)(H,163,214)(H,164,215)(H,165,212)(H,166,213)(H,167,216)(H,168,232)(H,169,233)(H,170,234)(H,171,222)(H,172,235)(H,173,224)(H,174,226)(H,175,217)(H,176,220)(H,177,227)(H,178,219)(H,179,221)(H,180,218)(H,181,223)(H,182,236)(H,183,225)(H,184,228)(H,185,237)(H,186,204)(H,187,229)(H,188,231)(H,189,230)(H,205,206)(H,207,208)(H,209,210)(H4,156,157,160)(H4,158,159,161)/t72-,73+,74+,75+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,116-,117-,118-,119-/m1/s1
PubChem CID91935449
ChEMBLCHEMBL267885
IUPHARN/A
BindingDB50059358
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
Activity3.8 %PMID9258362ChEMBL
IC5040.0 nMPMID9258362BindingDB,ChEMBL
Kd630.96 nMPMID9258362BindingDB,ChEMBL

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