CodeWYB
NameLodoxamide
SynonymsLodoxamide
Identifier2-[[3-(carboxycarbonylamino)-2-chloranyl-5-cyano-phenyl]amino]-2-oxidanylidene-ethanoic acid
FormulaC11 H6 Cl N3 O6
Molecular Weight311.635
SMILESc1c(cc(c(c1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N
PubChem44564
Formal Charge0
Total Atoms27
Total Chiral Atoms0
Total Bonds27
Total Aromatic Bonds6
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
8H8J A Orphan A orphans GPR35 Homo sapiens Lodoxamide Ca chim(NtGi1L-G13)/Beta1/Gamma2 3.2 2023-02-08 10.1038/s41421-022-00499-8

A 2D representation of the interactions of WYB in 8H8J
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:W15 R:R:Y259 8.68 0 Yes Yes 2 4 2 1
R:R:F23 R:R:Y259 6.19 0 No Yes 4 4 2 1
R:R:F163 R:R:L80 3.65 1 Yes No 4 5 1 1
L:L:?1 R:R:L80 15.19 1 Yes No 0 5 0 1
R:R:R164 R:R:T83 12.94 0 No No 5 3 1 2
R:R:F163 R:R:Q93 29.28 1 Yes Yes 4 6 1 2
R:R:L97 R:R:Y96 3.52 1 Yes Yes 5 6 2 2
R:R:F163 R:R:Y96 4.13 1 Yes Yes 4 6 1 2
R:R:D266 R:R:Y96 12.64 1 Yes Yes 7 6 2 2
R:R:F163 R:R:L97 4.87 1 Yes Yes 4 5 1 2
L:L:?1 R:R:F163 41.88 1 Yes Yes 0 4 0 1
L:L:?1 R:R:R164 8 1 Yes No 0 5 0 1
H:H:?1 R:R:R164 4.46 0 No No 0 5 2 1
R:R:H168 R:R:M173 3.94 1 No Yes 3 4 2 2
R:R:H168 R:R:R240 9.03 1 No Yes 3 5 2 1
R:R:L237 R:R:M173 5.65 1 Yes Yes 6 4 1 2
R:R:M173 R:R:R240 4.96 1 Yes Yes 4 5 2 1
R:R:H234 R:R:L237 6.43 0 Yes Yes 9 6 2 1
R:R:L237 R:R:R240 3.64 1 Yes Yes 6 5 1 1
L:L:?1 R:R:L237 5.06 1 Yes Yes 0 6 0 1
R:R:R240 R:R:R255 15.99 1 Yes Yes 5 4 1 2
R:R:L258 R:R:R240 4.86 1 No Yes 5 5 1 1
L:L:?1 R:R:R240 3.55 1 Yes Yes 0 5 0 1
H:H:?1 R:R:R255 8.92 0 No Yes 0 4 2 2
L:L:?1 R:R:L258 4.05 1 Yes No 0 5 0 1
R:R:K263 R:R:Y259 9.55 0 Yes Yes 4 4 2 1
L:L:?1 R:R:Y259 9.43 1 Yes Yes 0 4 0 1
R:R:K263 R:R:S262 4.59 0 Yes Yes 4 6 2 1
R:R:S262 R:R:S265 3.26 0 Yes No 6 8 1 2
R:R:D266 R:R:S262 4.42 1 Yes Yes 7 6 2 1
L:L:?1 R:R:S262 7.69 1 Yes Yes 0 6 0 1
R:R:I254 R:R:R240 2.51 1 No Yes 4 5 2 1
R:R:I254 R:R:R255 2.51 1 No Yes 4 4 2 2
R:R:L80 R:R:R81 2.43 1 No No 5 3 1 2
R:R:G236 R:R:L258 1.71 0 No No 5 5 2 1
R:R:K20 R:R:Y259 1.19 0 No Yes 2 4 2 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub5.00
Average Interaction Strength11.86
Average Nodes In Shell27.00
Average Hubs In Shell15.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell32.00
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 Links8.00
Average Number Of Links With An Hub5.00
Average Interaction Strength11.86
Average Nodes In Shell27.00
Average Hubs In Shell15.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell32.00

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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 🔍)