CodeV6G
Name3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one
Synonyms
Identifier3-[(1~{S},2~{S})-1-[5-[(4~{S})-2,2-dimethyloxan-4-yl]-2-[[(4~{S})-2-(4-fluoranyl-3,5-dimethyl-phenyl)-3-[3-(4-fluoranyl-1-methyl-indazol-5-yl)-2-oxidanylidene-imidazol-1-yl]-4-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]indol-1-yl]-2-methyl-cyclopropyl]-4~{H}-1,2,4-oxadiazol-5-one
FormulaC48 H48 F2 N10 O5
Molecular Weight882.956
SMILESCc1cc(cc(c1F)C)n2c(c3c(n2)CCN([C@H]3C)C(=O)c4cc5cc(ccc5n4[C@]6(C[C@@H]6C)C7=NOC(=O)N7)[C@H]8CCOC(C8)(C)C)N9C=CN(C9=O)c1ccc2c(c1F)cn
n2C
PubChem137319706
Formal Charge0
Total Atoms113
Total Chiral Atoms4
Total Bonds123
Total Aromatic Bonds31
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6XOX B1 Peptide Glucagon GLP-1 Homo sapiens Orforglipron - chim(NtGi1-Gs)/Beta1/Gamma2 3.1 2020-11-18 10.1073/pnas.2014879117

A 2D representation of the interactions of V6G in 6XOX
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:P137 R:R:S31 3.56 0 Yes No 3 4 1 2
R:R:L32 R:R:Y205 7.03 0 No No 4 3 2 1
R:R:Q221 R:R:W33 16.43 0 No No 4 3 2 1
R:R:T298 R:R:W33 3.64 5 No No 5 3 1 1
R:R:W33 W:W:?1 13.49 5 No Yes 3 0 1 0
R:R:P137 R:R:S136 3.56 0 Yes No 3 1 1 2
R:R:E139 R:R:S136 4.31 0 No No 2 1 2 2
R:R:P137 W:W:?1 3.71 0 Yes Yes 3 0 1 0
R:R:E138 R:R:E139 19.03 0 No No 2 2 1 2
R:R:E138 W:W:?1 7.48 0 No Yes 2 0 1 0
R:R:L141 R:R:L144 5.54 0 No No 5 6 1 2
R:R:L141 W:W:?1 9.37 0 No Yes 5 0 1 0
R:R:Y145 R:R:Y148 4.96 5 No Yes 5 7 1 1
R:R:D198 R:R:Y145 12.64 0 No No 7 5 2 1
R:R:Y145 W:W:?1 14.55 5 No Yes 5 0 1 0
R:R:V194 R:R:Y148 5.05 0 No Yes 7 7 2 1
R:R:L388 R:R:Y148 9.38 0 No Yes 7 7 2 1
R:R:Y148 W:W:?1 3.31 5 Yes Yes 7 0 1 0
R:R:K197 R:R:M233 5.76 0 No No 6 6 1 2
R:R:K197 W:W:?1 16.71 0 No Yes 6 0 1 0
R:R:L201 R:R:Y205 7.03 5 No No 7 3 1 1
R:R:L201 W:W:?1 10.15 5 No Yes 7 0 1 0
R:R:K202 W:W:?1 3.18 0 No Yes 4 0 1 0
R:R:M204 R:R:Y220 9.58 0 No Yes 3 3 2 1
R:R:Y205 W:W:?1 3.31 5 No Yes 3 0 1 0
R:R:Q221 R:R:Y220 5.64 0 No Yes 4 3 2 1
R:R:C226 R:R:Y220 9.41 0 No Yes 9 3 2 1
R:R:Y220 W:W:?1 5.29 0 Yes Yes 3 0 1 0
R:R:V229 W:W:?1 4.2 0 No Yes 7 0 1 0
R:R:F230 R:R:Q234 12.88 5 Yes No 5 7 1 2
R:R:F230 R:R:W284 6.01 5 Yes Yes 5 8 1 2
R:R:F230 R:R:T298 7.78 5 Yes No 5 5 1 1
R:R:F230 W:W:?1 6.87 5 Yes Yes 5 0 1 0
R:R:Q234 R:R:W284 3.29 5 No Yes 7 8 2 2
R:R:T298 W:W:?1 3.33 5 No Yes 5 0 1 0
R:R:K202 R:R:S206 3.06 0 No No 4 4 1 2
R:R:S223 R:R:Y220 2.54 0 No Yes 4 3 2 1
R:R:A200 W:W:?1 1.78 0 No Yes 4 0 1 0
R:R:P137 R:R:T29 1.75 0 Yes No 3 2 1 2
R:R:L141 R:R:Q140 1.33 0 No No 5 4 1 2
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.12
Average Nodes In Shell34.00
Average Hubs In Shell6.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell29.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7E14 B1 Peptide Glucagon GLP-1 Homo sapiens Orforglipron PubChem 156022738 Gs/Beta1/Gamma2 2.9 2021-07-07 10.1038/s41467-021-24058-z

A 2D representation of the interactions of V6G in 7E14
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:E34 R:R:V30 4.28 0 No No 4 2 1 2
R:R:E34 R:R:S31 7.19 0 No No 4 4 1 2
R:R:L32 R:R:Y205 14.07 0 No Yes 4 3 2 1
R:R:Q37 R:R:W33 4.38 1 Yes Yes 4 3 2 1
R:R:Q221 R:R:W33 15.33 1 Yes Yes 4 3 2 1
R:R:T298 R:R:W33 8.49 1 No Yes 5 3 1 1
L:L:?1 R:R:W33 7.71 1 Yes Yes 0 3 0 1
L:L:?1 R:R:E34 4.49 1 Yes No 0 4 0 1
R:R:Q221 R:R:Q37 7.68 1 Yes Yes 4 4 2 2
R:R:E138 R:R:S136 10.06 1 Yes No 2 1 1 2
L:L:?1 R:R:P137 11.12 1 Yes No 0 3 0 1
R:R:E138 R:R:E139 3.81 1 Yes No 2 2 1 2
R:R:E138 R:R:Y205 8.98 1 Yes Yes 2 3 1 1
L:L:?1 R:R:E138 10.47 1 Yes Yes 0 2 0 1
R:R:L141 R:R:Q140 11.98 0 No No 5 4 1 2
R:R:F385 R:R:L141 3.65 0 No No 6 5 2 1
L:L:?1 R:R:L141 7.81 1 Yes No 0 5 0 1
R:R:L144 R:R:Y148 4.69 1 No Yes 6 7 1 1
R:R:F385 R:R:L144 12.18 0 No No 6 6 2 1
L:L:?1 R:R:L144 5.47 1 Yes No 0 6 0 1
R:R:Y145 R:R:Y148 3.97 1 Yes Yes 5 7 1 1
R:R:T149 R:R:Y145 8.74 0 No Yes 7 5 2 1
R:R:D198 R:R:Y145 10.34 1 No Yes 7 5 1 1
L:L:?1 R:R:Y145 11.9 1 Yes Yes 0 5 0 1
R:R:Y148 R:R:Y152 3.97 1 Yes Yes 7 7 1 2
L:L:?1 R:R:Y148 8.6 1 Yes Yes 0 7 0 1
R:R:M233 R:R:S193 7.67 1 Yes No 6 6 1 2
R:R:K197 R:R:M233 4.32 1 No Yes 6 6 1 1
L:L:?1 R:R:K197 16.71 1 Yes No 0 6 0 1
L:L:?1 R:R:D198 5.36 1 Yes No 0 7 0 1
R:R:L201 R:R:Y205 4.69 1 No Yes 7 3 1 1
L:L:?1 R:R:L201 7.81 1 Yes No 0 7 0 1
L:L:?1 R:R:K202 6.36 1 Yes No 0 4 0 1
L:L:?1 R:R:Y205 6.61 1 Yes Yes 0 3 0 1
R:R:S223 R:R:Y220 3.82 0 No Yes 4 3 2 1
R:R:C226 R:R:Y220 14.79 1 No Yes 9 3 1 1
L:L:?1 R:R:Y220 5.95 1 Yes Yes 0 3 0 1
R:R:C226 R:R:C296 5.46 1 No No 9 9 1 2
L:L:?1 R:R:C226 4.48 1 Yes No 0 9 0 1
R:R:M233 R:R:V229 4.56 1 Yes No 6 7 1 1
L:L:?1 R:R:V229 4.2 1 Yes No 0 7 0 1
R:R:F230 R:R:Q234 9.37 1 Yes No 5 7 1 2
R:R:F230 R:R:W284 5.01 1 Yes Yes 5 8 1 2
R:R:F230 R:R:W297 4.01 1 Yes Yes 5 8 1 2
L:L:?1 R:R:F230 10.31 1 Yes Yes 0 5 0 1
L:L:?1 R:R:M233 4.79 1 Yes Yes 0 6 0 1
R:R:Q234 R:R:W284 6.57 1 No Yes 7 8 2 2
R:R:W284 R:R:W297 4.69 1 Yes Yes 8 8 2 2
L:L:?1 R:R:T298 9.98 1 Yes No 0 5 0 1
R:R:M204 R:R:Y220 3.59 0 No Yes 3 3 2 1
L:L:?1 R:R:A200 2.67 1 Yes No 0 4 0 1
R:R:S225 R:R:Y220 2.54 0 No Yes 3 3 2 1
R:R:K202 R:R:S206 1.53 0 No No 4 4 1 2
StatisticsValue
Average Number Of Links20.00
Average Number Of Links With An Hub8.00
Average Interaction Strength7.64
Average Nodes In Shell41.00
Average Hubs In Shell14.00
Average Links In Shell53.00
Average Links Mediated by Hubs In Shell46.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links17.50
Average Number Of Links With An Hub6.00
Average Interaction Strength7.38
Average Nodes In Shell37.50
Average Hubs In Shell10.00
Average Links In Shell46.50
Average Links Mediated by Hubs In Shell37.50

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)