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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

NameCHEMBL442499
Molecular formulaC150H222N42O47S
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-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-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-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
Molecular weight3397.73
Hydrogen bond acceptor52
Hydrogen bond donor52
XlogP-17.4
SynonymsN/A
Inchi KeyFZNAHMCHZCQZQS-XFFFQUFHSA-N
Inchi IDInChI=1S/C150H222N42O47S/c1-70(2)53-97(133(224)174-96(48-52-240-11)132(223)182-104(60-113(156)205)142(233)191-119(74(8)197)122(157)213)177-137(228)102(58-80-63-164-87-27-17-15-25-84(80)87)181-130(221)94(42-46-112(155)204)175-146(237)118(72(5)6)190-140(231)101(55-77-23-13-12-14-24-77)180-138(229)105(61-116(209)210)183-129(220)93(41-45-111(154)203)168-123(214)73(7)167-126(217)90(30-21-50-162-149(158)159)170-127(218)91(31-22-51-163-150(160)161)172-144(235)108(68-195)187-139(230)106(62-117(211)212)184-134(225)98(54-71(3)4)176-135(226)99(56-78-32-36-82(200)37-33-78)178-128(219)89(29-19-20-49-151)171-143(234)107(67-194)186-136(227)100(57-79-34-38-83(201)39-35-79)179-131(222)95(43-47-115(207)208)173-145(236)109(69-196)188-148(239)121(76(10)199)192-141(232)103(59-81-64-165-88-28-18-16-26-85(81)88)185-147(238)120(75(9)198)189-114(206)65-166-125(216)92(40-44-110(153)202)169-124(215)86(152)66-193/h12-18,23-28,32-39,63-64,70-76,86,89-109,118-121,164-165,193-201H,19-22,29-31,40-62,65-69,151-152H2,1-11H3,(H2,153,202)(H2,154,203)(H2,155,204)(H2,156,205)(H2,157,213)(H,166,216)(H,167,217)(H,168,214)(H,169,215)(H,170,218)(H,171,234)(H,172,235)(H,173,236)(H,174,224)(H,175,237)(H,176,226)(H,177,228)(H,178,219)(H,179,222)(H,180,229)(H,181,221)(H,182,223)(H,183,220)(H,184,225)(H,185,238)(H,186,227)(H,187,230)(H,188,239)(H,189,206)(H,190,231)(H,191,233)(H,192,232)(H,207,208)(H,209,210)(H,211,212)(H4,158,159,162)(H4,160,161,163)/t73-,74+,75+,76+,86-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-,119-,120-,121-/m1/s1
PubChem CID44319784
ChEMBLCHEMBL442499
IUPHARN/A
BindingDB50059352
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
Activity7.9 %PMID9258362ChEMBL
IC5019.0 nMPMID9258362BindingDB,ChEMBL
Kd562.34 nMPMID9258362BindingDB,ChEMBL

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