Code9UJ
Name(2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid
SynonymsTUG-1375
Identifier(2~{R},4~{R})-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid
FormulaC22 H19 Cl N2 O4 S
Molecular Weight442.915
SMILESCc1c(c(on1)C)c2ccc(cc2)C(=O)N3[C@@H](CS[C@@H]3c4ccccc4Cl)C(=O)O
PubChem138319694
Formal Charge0
Total Atoms49
Total Chiral Atoms2
Total Bonds52
Total Aromatic Bonds17
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
8J22 A Lipid Free fatty acid FFA2 Homo Sapiens TUG-1375 - Gi1/Beta1/Gamma2 3.2 2024-01-24 10.1038/s41422-023-00914-z

A 2D representation of the interactions of 9UJ in 8J22
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:F89 R:R:K65 13.65 2 Yes Yes 6 6 2 2
R:R:K65 R:R:Y90 4.78 2 Yes Yes 6 5 2 1
R:R:F87 R:R:G88 4.52 0 Yes No 4 4 1 2
R:R:F138 R:R:F87 6.43 0 No Yes 4 4 2 1
R:R:C141 R:R:F87 2.79 0 No Yes 7 4 2 1
R:R:F87 R:R:T142 2.59 0 Yes No 4 4 1 2
R:R:F89 R:R:Y90 3.09 2 Yes Yes 6 5 2 1
R:R:F89 R:R:V259 2.62 2 Yes Yes 6 4 2 2
R:R:I93 R:R:Y90 2.42 2 Yes Yes 7 5 2 1
R:R:E166 R:R:Y90 3.37 2 Yes Yes 5 5 1 1
R:R:Y238 R:R:Y90 9.93 2 Yes Yes 7 5 1 1
R:R:R255 R:R:Y90 2.06 2 Yes Yes 4 5 1 1
R:R:V259 R:R:Y90 8.83 2 Yes Yes 4 5 2 1
L:L:?1 R:R:Y90 7.55 2 Yes Yes 0 5 0 1
R:R:I93 R:R:Y238 3.63 2 Yes Yes 7 7 2 1
R:R:I93 R:R:S262 6.19 2 Yes No 7 7 2 2
R:R:L183 R:R:Y94 5.86 2 Yes Yes 5 7 1 2
R:R:L187 R:R:Y94 8.21 2 Yes Yes 5 7 2 2
R:R:Y238 R:R:Y94 5.96 2 Yes Yes 7 7 1 2
R:R:N239 R:R:Y94 5.81 2 Yes Yes 8 7 2 2
R:R:H242 R:R:Y94 3.27 0 Yes Yes 6 7 2 2
R:R:E182 R:R:H140 9.85 2 No Yes 3 5 2 2
R:R:H140 R:R:L183 3.86 2 Yes Yes 5 5 2 1
R:R:H140 R:R:L187 10.29 2 Yes Yes 5 5 2 2
L:L:?1 R:R:V144 11.73 2 Yes No 0 4 0 1
R:R:I145 R:R:N160 8.5 0 No Yes 4 6 1 2
L:L:?1 R:R:I145 4.09 2 Yes No 0 4 0 1
R:R:N151 R:R:V147 2.96 0 No No 2 4 2 1
L:L:?1 R:R:V147 5.33 2 Yes No 0 4 0 1
R:R:N160 R:R:Q148 18.49 2 Yes Yes 6 5 2 1
R:R:I162 R:R:Q148 9.61 2 Yes Yes 4 5 2 1
R:R:Q148 R:R:T163 5.67 2 Yes Yes 5 3 1 1
L:L:?1 R:R:Q148 22.87 2 Yes Yes 0 5 0 1
R:R:I162 R:R:N160 4.25 2 Yes Yes 4 6 2 2
R:R:I162 R:R:T163 3.04 2 Yes Yes 4 3 2 1
R:R:E166 R:R:T163 4.23 2 Yes Yes 5 3 1 1
R:R:F168 R:R:T163 2.59 2 Yes Yes 4 3 1 1
L:L:?1 R:R:T163 6.33 2 Yes Yes 0 3 0 1
R:R:E166 R:R:F168 2.33 2 Yes Yes 5 4 1 1
R:R:E166 R:R:R255 5.82 2 Yes Yes 5 4 1 1
L:L:?1 R:R:E166 2.85 2 Yes Yes 0 5 0 1
R:R:F168 R:R:Q172 10.54 2 Yes No 4 3 1 1
R:R:F168 R:R:L173 2.44 2 Yes No 4 4 1 2
L:L:?1 R:R:F168 3.49 2 Yes Yes 0 4 0 1
L:L:?1 R:R:Q172 4.76 2 Yes No 0 3 0 1
L:L:?1 R:R:V175 6.4 2 Yes No 0 6 0 1
R:R:L177 R:R:V176 2.98 0 No No 3 4 2 1
R:R:R180 R:R:V176 6.54 2 Yes No 4 4 1 1
L:L:?1 R:R:V176 8.53 2 Yes No 0 4 0 1
L:L:?1 R:R:V179 5.33 2 Yes No 0 4 0 1
R:R:H242 R:R:R180 14.67 0 Yes Yes 6 4 2 1
R:R:R180 R:R:S251 5.27 2 Yes No 4 4 1 2
R:R:R180 R:R:R255 14.93 2 Yes Yes 4 4 1 1
L:L:?1 R:R:R180 7.83 2 Yes Yes 0 4 0 1
R:R:E182 R:R:L183 2.65 2 No Yes 3 5 2 1
R:R:L183 R:R:L187 4.15 2 Yes Yes 5 5 1 2
L:L:?1 R:R:L183 1.98 2 Yes Yes 0 5 0 1
R:R:N239 R:R:Y238 4.65 2 Yes Yes 8 7 2 1
R:R:R255 R:R:Y238 5.14 2 Yes Yes 4 7 1 1
R:R:V259 R:R:Y238 2.52 2 Yes Yes 4 7 2 1
R:R:S262 R:R:Y238 3.82 2 No Yes 7 7 2 1
L:L:?1 R:R:Y238 4.2 2 Yes Yes 0 7 0 1
R:R:H242 R:R:S241 2.79 0 Yes Yes 6 4 2 2
R:R:P252 R:R:S241 5.34 2 Yes Yes 3 4 2 2
R:R:R255 R:R:S241 3.95 2 Yes Yes 4 4 1 2
R:R:P252 R:R:S251 3.56 2 Yes No 3 4 2 2
R:R:P252 R:R:R255 5.76 2 Yes Yes 3 4 2 1
L:L:?1 R:R:R255 4.35 2 Yes Yes 0 4 0 1
L:L:?1 R:R:F87 1.74 2 Yes Yes 0 4 0 1
R:R:I146 R:R:V147 1.54 0 No No 4 4 2 1
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub10.00
Average Interaction Strength6.43
Average Nodes In Shell42.00
Average Hubs In Shell24.00
Average Links In Shell70.00
Average Links Mediated by Hubs In Shell67.00
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 Links17.00
Average Number Of Links With An Hub10.00
Average Interaction Strength6.43
Average Nodes In Shell42.00
Average Hubs In Shell24.00
Average Links In Shell70.00
Average Links Mediated by Hubs In Shell67.00

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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 🔍)