CodeS2F
Name(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
SynonymsTafluprost acid
Identifier
FormulaC22 H28 F2 O5
Molecular Weight410.452
SMILES
PubChem9978917
Formal Charge0
Total Atoms57
Total Chiral Atoms4
Total Bonds58
Total Aromatic Bonds6
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8IUM A Lipid Prostanoid FP-alpha Homo Sapiens Tafluprost acid - chim(NtGi1-Gs-CtGq)/Beta1/Gamma2 3.14 2023-07-12 doi.org/10.1038/s41467-023-38411-x

A 2D representation of the interactions of S2F in 8IUM
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
L:L:?1 R:R:S33 4.09 2 Yes No 0 7 0 1
L:L:?1 R:R:H81 24.5 2 Yes Yes 0 8 0 1
L:L:?1 R:R:N84 13.08 2 Yes No 0 6 0 1
L:L:?1 R:R:Y92 2.39 2 Yes Yes 0 8 0 1
L:L:?1 R:R:M115 4.81 2 Yes Yes 0 8 0 1
L:L:?1 R:R:S118 8.17 2 Yes Yes 0 7 0 1
L:L:?1 R:R:G119 3.49 2 Yes No 0 7 0 1
L:L:?1 R:R:T184 6.02 2 Yes Yes 0 9 0 1
L:L:?1 R:R:F205 2.49 2 Yes Yes 0 8 0 1
L:L:?1 R:R:F265 4.14 2 Yes No 0 8 0 1
L:L:?1 R:R:L287 2.83 2 Yes No 0 6 0 1
L:L:?1 R:R:L290 5.65 2 Yes No 0 7 0 1
L:L:?1 R:R:R291 6.61 2 Yes No 0 8 0 1
L:L:?1 R:R:T294 11.03 2 Yes No 0 9 0 1
L:L:?1 R:R:Q297 8.15 2 Yes Yes 0 8 0 1
R:R:S29 R:R:Y92 5.09 0 No Yes 7 8 2 1
R:R:V30 R:R:Y92 10.09 0 No Yes 6 8 2 1
R:R:D77 R:R:P122 14.49 2 No No 9 9 2 2
R:R:D77 R:R:Q297 9.14 2 No Yes 9 8 2 1
R:R:H81 R:R:T294 4.11 2 Yes No 8 9 1 1
R:R:H81 R:R:Q297 3.71 2 Yes Yes 8 8 1 1
R:R:H81 R:R:I298 2.65 2 Yes Yes 8 8 1 2
R:R:F111 R:R:N84 6.04 2 No No 6 6 2 1
R:R:M115 R:R:N84 9.82 2 Yes No 8 6 1 1
R:R:K96 R:R:Y92 5.97 0 No Yes 5 8 2 1
R:R:T184 R:R:Y92 7.49 2 Yes Yes 9 8 1 1
R:R:F111 R:R:M115 9.95 2 No Yes 6 8 2 1
R:R:M115 R:R:W185 2.33 2 Yes Yes 8 8 1 2
R:R:F187 R:R:V116 3.93 2 Yes Yes 8 8 2 2
R:R:F205 R:R:V116 2.62 2 Yes Yes 8 8 1 2
R:R:G119 R:R:S118 3.71 2 No Yes 7 7 1 1
R:R:Q297 R:R:S118 4.33 2 Yes Yes 8 7 1 1
R:R:G119 R:R:W262 2.81 2 No Yes 7 9 1 2
R:R:F205 R:R:L120 7.31 2 Yes No 8 6 1 2
R:R:P122 R:R:Q297 11.05 2 No Yes 9 8 2 1
R:R:S182 R:R:T184 6.4 2 No Yes 8 9 2 1
R:R:S182 R:R:W185 4.94 2 No Yes 8 8 2 2
R:R:T184 R:R:W185 2.43 2 Yes Yes 9 8 1 2
R:R:F187 R:R:W185 8.02 2 Yes Yes 8 8 2 2
R:R:L290 R:R:W185 6.83 0 No Yes 7 8 1 2
R:R:F187 R:R:F205 6.43 2 Yes Yes 8 8 2 1
R:R:F187 R:R:M269 2.49 2 Yes Yes 8 7 2 2
R:R:N296 R:R:W262 9.04 0 No Yes 9 9 2 2
R:R:F265 R:R:M269 7.46 0 No Yes 8 7 1 2
R:R:A289 R:R:F265 4.16 0 No No 7 8 2 1
R:R:L287 R:R:R291 10.93 2 No No 6 8 1 1
R:R:N296 R:R:Q297 3.96 0 No Yes 9 8 2 1
L:L:?1 R:R:A293 2.14 2 Yes No 0 8 0 1
R:R:F32 R:R:R291 2.14 0 No No 4 8 2 1
R:R:G80 R:R:S118 1.86 0 No Yes 8 7 2 1
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub7.00
Average Interaction Strength6.85
Average Nodes In Shell35.00
Average Hubs In Shell14.00
Average Links In Shell50.00
Average Links Mediated by Hubs In Shell45.00
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 Links14.50
Average Number Of Links With An Hub5.00
Average Interaction Strength7.34
Average Nodes In Shell31.00
Average Hubs In Shell10.50
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell35.00

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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 🔍)