CodeEBX
Name4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
Synonyms
Identifier4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
FormulaC22 H26 N4 O5
Molecular Weight426.466
SMILESCC[C@H](c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C
PubChem153466996
Formal Charge0
Total Atoms57
Total Chiral Atoms1
Total Bonds59
Total Aromatic Bonds11
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6LFL A Protein Chemokine CXCR2 Homo sapiens - PubChem 153466996 - 3.2 2020-09-02 10.1038/s41586-020-2492-5

A 2D representation of the interactions of EBX in 6LFL
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:V69 R:R:Y314 5.05 1 No Yes 8 9 2 1
R:R:F321 R:R:V69 5.24 1 Yes No 8 8 1 2
R:R:F321 R:R:V72 7.87 1 Yes Yes 8 7 1 2
R:R:I73 R:R:L88 11.42 0 No No 6 5 1 2
R:R:I73 W:W:?1 5.03 0 No Yes 6 0 1 0
R:R:D84 R:R:R80 3.57 1 Yes No 8 7 1 2
R:R:D84 R:R:S81 8.83 1 Yes No 8 7 1 1
R:R:S81 W:W:?1 10.59 1 No Yes 7 0 1 0
R:R:I140 R:R:T83 6.08 1 Yes No 9 7 2 1
R:R:R144 R:R:T83 5.17 1 Yes No 9 7 1 1
R:R:T83 W:W:?1 11.27 1 No Yes 7 0 1 0
R:R:D84 R:R:K320 8.3 1 Yes No 8 6 1 1
R:R:D84 W:W:?1 19.15 1 Yes Yes 8 0 1 0
R:R:L87 R:R:Y314 5.86 1 No Yes 7 9 1 1
R:R:L87 W:W:?1 4.07 1 No Yes 7 0 1 0
R:R:I140 R:R:Y231 3.63 1 Yes Yes 9 9 2 2
R:R:I140 R:R:I253 4.42 1 Yes Yes 9 7 2 1
R:R:D143 R:R:R144 5.96 0 No Yes 8 9 2 1
R:R:A147 R:R:R144 4.15 0 No Yes 8 9 2 1
R:R:M250 R:R:R144 7.44 0 No Yes 5 9 2 1
R:R:R144 W:W:?1 9.29 1 Yes Yes 9 0 1 0
R:R:I253 R:R:Y231 3.63 1 Yes Yes 7 9 1 2
R:R:E249 R:R:K320 6.75 1 No No 7 6 1 1
R:R:E249 W:W:?1 10.91 1 No Yes 7 0 1 0
R:R:I253 R:R:M250 5.83 1 Yes No 7 5 1 2
R:R:G318 R:R:V252 3.68 0 No No 7 7 2 1
R:R:V252 W:W:?1 3.5 0 No Yes 7 0 1 0
R:R:I253 W:W:?1 4.2 1 Yes Yes 7 0 1 0
R:R:N310 R:R:V256 5.91 1 Yes No 9 8 2 2
R:R:V256 R:R:Y314 3.79 1 No Yes 8 9 2 1
R:R:N310 R:R:Y314 8.14 1 Yes Yes 9 9 2 1
R:R:F321 R:R:Y314 4.13 1 Yes Yes 8 9 1 1
R:R:Y314 W:W:?1 4.82 1 Yes Yes 9 0 1 0
R:R:K320 W:W:?1 30.68 1 No Yes 6 0 1 0
R:R:F321 W:W:?1 4.3 1 Yes Yes 8 0 1 0
R:R:I317 R:R:V252 3.07 8 Yes No 6 7 2 1
R:R:A315 R:R:F321 1.39 0 No Yes 7 8 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.82
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell34.00
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 Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.82
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell34.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)