CodeA90
Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid
SynonymsDaltroban
Identifier2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid
FormulaC16 H16 Cl N O4 S
Molecular Weight353.821
SMILESc1cc(ccc1CCNS(=O)(=O)c2ccc(cc2)Cl)CC(=O)O
PubChem54343
Formal Charge0
Total Atoms39
Total Chiral Atoms0
Total Bonds40
Total Aromatic Bonds12
Networks1
 missing image

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
6IIV A Lipid Prostanoid TP Homo sapiens Daltroban - - 3 2018-12-19 10.1038/s41589-018-0170-9

A 2D representation of the interactions of A90 in 6IIV
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:D74 R:R:Q301 13.05 1 Yes Yes 9 9 2 1
L:L:?1 R:R:L78 5.55 1 Yes No 0 8 0 1
L:L:?1 R:R:T81 8.86 1 Yes No 0 7 0 1
L:L:?1 R:R:V85 9.95 1 Yes No 0 8 0 1
R:R:F93 R:R:H89 12.44 0 Yes Yes 3 7 2 1
R:R:H89 R:R:S181 6.97 1 Yes Yes 7 8 1 1
L:L:?1 R:R:H89 4.29 1 Yes Yes 0 7 0 1
R:R:F93 R:R:P179 7.22 0 Yes No 3 8 2 2
R:R:F184 R:R:M112 4.98 1 Yes No 8 8 2 1
L:L:?1 R:R:M112 12.27 1 Yes No 0 8 0 1
R:R:P119 R:R:Q301 4.74 0 No Yes 8 9 2 1
R:R:L120 R:R:W258 17.08 0 No Yes 8 8 2 1
R:R:Q177 R:R:W182 13.14 0 No Yes 7 7 2 1
R:R:P179 R:R:S181 5.34 0 No Yes 8 8 2 1
R:R:S181 R:R:W182 6.18 1 Yes Yes 8 7 1 1
L:L:?1 R:R:S181 7.02 1 Yes Yes 0 8 0 1
R:R:F184 R:R:W182 9.02 1 Yes Yes 8 7 2 1
R:R:L290 R:R:W182 5.69 0 No Yes 6 7 2 1
R:R:L294 R:R:W182 15.94 1 No Yes 7 7 1 1
L:L:?1 R:R:W182 10.65 1 Yes Yes 0 7 0 1
R:R:A297 R:R:W258 7.78 0 No Yes 8 8 2 1
R:R:N300 R:R:W258 12.43 1 Yes Yes 9 8 2 1
R:R:Q301 R:R:W258 7.67 1 Yes Yes 9 8 1 1
L:L:?1 R:R:W258 7.61 1 Yes Yes 0 8 0 1
R:R:L291 R:R:R295 12.15 0 No No 7 8 2 1
L:L:?1 R:R:L294 10.17 1 Yes No 0 7 0 1
L:L:?1 R:R:R295 8.11 1 Yes No 0 8 0 1
L:L:?1 R:R:T298 12.8 1 Yes No 0 8 0 1
R:R:N300 R:R:Q301 7.92 1 Yes Yes 9 9 2 1
L:L:?1 R:R:Q301 12.44 1 Yes Yes 0 9 0 1
R:R:G116 R:R:W258 4.22 0 No Yes 7 8 2 1
R:R:H89 R:R:S27 4.18 1 Yes No 7 7 1 2
R:R:H89 R:R:P28 3.05 1 Yes No 7 6 1 2
R:R:M108 R:R:T81 3.01 0 No No 6 7 2 1
R:R:A31 R:R:V85 1.7 0 No No 7 8 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.14
Average Nodes In Shell29.00
Average Hubs In Shell10.00
Average Links In Shell35.00
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 Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.14
Average Nodes In Shell29.00
Average Hubs In Shell10.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell32.00

missing image


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 🔍)