Code1OE
NameLintitript
SynonymsLintitript
Identifier2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid
FormulaC20 H14 Cl N3 O3 S
Molecular Weight411.861
SMILESc1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl
PubChem122077
Formal Charge0
Total Atoms42
Total Chiral Atoms0
Total Bonds45
Total Aromatic Bonds21
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
7F8U A Peptide Cholecystokinin CCKA Homo sapiens Lintitript - - 2.8 2021-10-13 10.1038/s41589-021-00866-8

A 2D representation of the interactions of 1OE in 7F8U
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:L90 R:R:M121 4.24 1 Yes No 8 7 2 1
R:R:L90 R:R:W326 4.56 1 Yes Yes 8 8 2 2
R:R:L90 R:R:Y360 4.69 1 Yes Yes 8 7 2 2
R:R:L356 R:R:N98 10.98 0 No No 6 7 1 2
R:R:N98 R:R:Y360 11.63 0 No Yes 7 7 2 2
R:R:T118 R:R:Y176 6.24 0 No Yes 6 7 2 1
R:R:M121 R:R:Y360 8.38 1 No Yes 7 7 1 2
L:L:?1 R:R:M121 12.02 1 Yes No 0 7 0 1
R:R:V125 R:R:W326 7.36 1 No Yes 7 8 2 2
R:R:F330 R:R:V125 7.87 1 Yes No 7 7 1 2
R:R:M173 R:R:Y176 3.59 0 No Yes 8 7 2 1
R:R:F198 R:R:Y176 19.6 1 Yes Yes 5 7 2 1
R:R:W209 R:R:Y176 11.58 1 Yes Yes 8 7 2 1
L:L:?1 R:R:Y176 5.37 1 Yes Yes 0 7 0 1
R:R:R197 R:R:R336 14.93 1 Yes No 4 4 2 1
R:R:E344 R:R:R197 8.14 1 No Yes 1 4 2 2
R:R:F198 R:R:W209 7.02 1 Yes Yes 5 8 2 2
R:R:L213 R:R:W209 17.08 1 No Yes 7 8 2 2
R:R:F330 R:R:L213 3.65 1 Yes No 7 7 1 2
R:R:F218 R:R:F330 15 1 Yes Yes 8 7 2 1
R:R:F330 R:R:W326 4.01 1 Yes Yes 7 8 1 2
R:R:S359 R:R:W326 8.65 0 No Yes 7 8 2 2
R:R:I329 R:R:I355 4.42 0 No No 7 6 1 2
R:R:I329 R:R:S359 6.19 0 No No 7 7 1 2
L:L:?1 R:R:I329 10.27 1 Yes No 0 7 0 1
L:L:?1 R:R:F330 7.96 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N333 16.16 1 Yes No 0 7 0 1
R:R:L347 R:R:W335 5.69 1 Yes Yes 5 5 1 2
R:R:E344 R:R:R336 8.14 1 No No 1 4 2 1
L:L:?1 R:R:R336 38.92 1 Yes No 0 4 0 1
R:R:I352 R:R:L347 4.28 1 Yes Yes 5 5 1 1
L:L:?1 R:R:L347 3.62 1 Yes Yes 0 5 0 1
R:R:I352 R:R:I355 4.42 1 Yes No 5 6 1 2
L:L:?1 R:R:I352 21.46 1 Yes Yes 0 5 0 1
L:L:?1 R:R:L356 4.52 1 Yes No 0 6 0 1
R:R:L347 R:R:P351 3.28 1 Yes No 5 4 1 2
R:R:A332 R:R:I352 1.62 0 No Yes 5 5 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength13.37
Average Nodes In Shell28.00
Average Hubs In Shell13.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell33.00
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 Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength13.37
Average Nodes In Shell28.00
Average Hubs In Shell13.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell33.00

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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 🔍)