CodeFT4
Name[(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid
SynonymsCAY10471
Identifier2-[(3~{R})-3-[(4-fluorophenyl)sulfonyl-methyl-amino]-1,2,3,4-tetrahydrocarbazol-9-yl]ethanoic acid
FormulaC21 H21 F N2 O4 S
Molecular Weight416.466
SMILESCN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F
PubChem25817650
Formal Charge0
Total Atoms50
Total Chiral Atoms1
Total Bonds53
Total Aromatic Bonds16
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
6D27 A Lipid Prostanoid DP2 Homo sapiens CAY10471 - - 2.74 2018-10-03 10.1016/j.molcel.2018.08.009

A 2D representation of the interactions of FT4 in 6D27
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:Q16 R:R:W283 4.38 0 No Yes 7 4 2 1
R:R:M17 R:R:M181 5.78 1 No Yes 7 4 1 2
R:R:M17 R:R:W283 6.98 1 No Yes 7 4 1 1
L:L:?2408 R:R:M17 10 1 Yes No 0 7 0 1
R:R:L20 R:R:W283 4.56 0 No Yes 5 4 2 1
R:R:F87 R:R:F90 3.22 1 No Yes 6 5 2 1
R:R:F87 R:R:L91 9.74 1 No Yes 6 5 2 2
R:R:F90 R:R:L91 3.65 1 Yes Yes 5 5 1 2
R:R:F90 R:R:H95 4.53 1 Yes No 5 4 1 2
R:R:F90 R:R:W97 3.01 1 Yes Yes 5 9 1 2
L:L:?2408 R:R:F90 3.83 1 Yes Yes 0 5 0 1
R:R:H95 R:R:L91 6.43 1 No Yes 4 5 2 2
R:R:C182 R:R:W97 5.22 1 No Yes 9 9 2 2
R:R:R170 R:R:S108 14.5 1 Yes No 5 5 1 2
R:R:F111 R:R:F112 9.65 1 Yes Yes 6 5 1 2
R:R:F111 R:R:W259 7.02 1 Yes Yes 6 8 1 2
R:R:F111 R:R:Y262 6.19 1 Yes Yes 6 7 1 1
R:R:F111 R:R:F294 8.57 1 Yes No 6 6 1 2
L:L:?2408 R:R:F111 11.48 1 Yes Yes 0 6 0 1
R:R:F112 R:R:Y166 20.63 1 Yes Yes 5 4 2 2
R:R:F112 R:R:Y184 4.13 1 Yes Yes 5 4 2 1
R:R:F112 R:R:K210 4.96 1 Yes Yes 5 5 2 2
R:R:Y166 R:R:Y184 5.96 1 Yes Yes 4 4 2 1
R:R:K210 R:R:Y166 9.55 1 Yes Yes 5 4 2 2
R:R:C182 R:R:R170 2.79 1 No Yes 9 5 2 1
R:R:R170 R:R:Y183 3.09 1 Yes Yes 5 4 1 1
L:L:?2408 R:R:R170 8.59 1 Yes Yes 0 5 0 1
R:R:Y183 R:R:Y184 12.91 1 Yes Yes 4 4 1 1
R:R:E269 R:R:Y183 10.1 1 No Yes 5 4 2 1
L:L:?2408 R:R:Y183 21.19 1 Yes Yes 0 4 0 1
L:L:?2408 R:R:Y184 7.37 1 Yes Yes 0 4 0 1
R:R:K210 R:R:Y262 7.17 1 Yes Yes 5 7 2 1
R:R:H263 R:R:K210 2.62 1 Yes Yes 8 5 2 2
R:R:K210 R:R:S266 4.59 1 Yes No 5 5 2 2
R:R:H263 R:R:W259 3.17 1 Yes Yes 8 8 2 2
R:R:H263 R:R:Y262 7.62 1 Yes Yes 8 7 2 1
R:R:S266 R:R:Y262 3.82 1 No Yes 5 7 2 1
R:R:V289 R:R:Y262 2.52 0 Yes Yes 7 7 2 1
L:L:?2408 R:R:Y262 8.29 1 Yes Yes 0 7 0 1
R:R:E269 R:R:V282 2.85 1 No No 5 4 2 2
R:R:E269 R:R:L286 3.98 1 No Yes 5 5 2 1
R:R:L286 R:R:V282 2.98 1 Yes No 5 4 1 2
L:L:?2408 R:R:W283 2.68 1 Yes Yes 0 4 0 1
R:R:L286 R:R:T290 2.95 1 Yes No 5 6 1 1
L:L:?2408 R:R:L286 5.44 1 Yes Yes 0 5 0 1
L:L:?2408 R:R:P287 2.58 1 Yes No 0 4 0 1
R:R:F294 R:R:T290 2.59 0 No No 6 6 2 1
L:L:?2408 R:R:T290 13.9 1 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.67
Average Nodes In Shell31.00
Average Hubs In Shell18.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell46.00
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 Links11.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.67
Average Nodes In Shell31.00
Average Hubs In Shell18.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell46.00

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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 🔍)