CodeA8X
NameRamatroban
SynonymsRamatroban
Identifier3-[(3~{R})-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
FormulaC21 H21 F N2 O4 S
Molecular Weight416.466
SMILESc1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F
PubChem123879
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
6IIU A Lipid Prostanoid TP Homo sapiens Ramatroban - - 2.5 2018-12-19 10.1038/s41589-018-0170-9

A 2D representation of the interactions of A8X in 6IIU
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:F34 R:R:W299 12.03 0 No No 8 4 1 2
R:R:F34 R:R:I302 6.28 0 No No 8 9 1 2
L:L:?1 R:R:F34 3.98 1 Yes No 0 8 0 1
R:R:D74 R:R:Q301 9.14 1 Yes Yes 9 9 2 1
R:R:L78 R:R:Q301 3.99 1 No Yes 8 9 1 1
L:L:?1 R:R:L78 6.33 1 Yes No 0 8 0 1
R:R:M108 R:R:T81 4.52 1 Yes No 6 7 2 1
R:R:M112 R:R:T81 4.52 1 No No 8 7 1 1
L:L:?1 R:R:T81 11.56 1 Yes No 0 7 0 1
L:L:?1 R:R:V85 14.61 1 Yes No 0 8 0 1
R:R:F93 R:R:H89 12.44 1 Yes Yes 3 7 2 1
R:R:H89 R:R:S181 4.18 1 Yes Yes 7 8 1 1
L:L:?1 R:R:H89 4.2 1 Yes Yes 0 7 0 1
R:R:F93 R:R:P179 7.22 1 Yes Yes 3 8 2 2
R:R:F93 R:R:S181 3.96 1 Yes Yes 3 8 2 1
R:R:M108 R:R:M112 7.22 1 Yes No 6 8 2 1
L:L:?1 R:R:M112 10.17 1 Yes No 0 8 0 1
R:R:G116 R:R:W258 4.22 0 No Yes 7 8 2 1
R:R:L120 R:R:W258 18.22 0 No Yes 8 8 2 1
R:R:P179 R:R:S181 5.34 1 Yes Yes 8 8 2 1
R:R:L291 R:R:P179 6.57 0 No Yes 7 8 2 2
R:R:S181 R:R:W182 6.18 1 Yes Yes 8 7 1 2
L:L:?1 R:R:S181 4.91 1 Yes Yes 0 8 0 1
R:R:L294 R:R:W182 20.5 0 No Yes 7 7 1 2
R:R:A297 R:R:W258 7.78 0 No Yes 8 8 2 1
R:R:N300 R:R:W258 9.04 1 Yes Yes 9 8 2 1
R:R:Q301 R:R:W258 8.76 1 Yes Yes 9 8 1 1
L:L:?1 R:R:W258 6.7 1 Yes Yes 0 8 0 1
R:R:L291 R:R:R295 18.22 0 No No 7 8 2 1
L:L:?1 R:R:L294 7.24 1 Yes No 0 7 0 1
L:L:?1 R:R:R295 8.74 1 Yes No 0 8 0 1
L:L:?1 R:R:T298 17.35 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 13.05 1 Yes Yes 0 9 0 1
R:R:L262 R:R:W258 3.42 0 No Yes 8 8 2 1
R:R:H89 R:R:P28 3.05 1 Yes No 7 6 1 2
R:R:H89 R:R:S27 2.79 1 Yes No 7 7 1 2
L:L:?1 R:R:C35 2.08 1 Yes No 0 6 0 1
L:L:?1 R:R:A31 2.06 1 Yes No 0 7 0 1
R:R:C35 R:R:G82 1.96 0 No No 6 8 1 2
R:R:C35 R:R:V86 1.71 0 No No 6 7 1 2
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.07
Average Nodes In Shell32.00
Average Hubs In Shell11.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell35.00
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 Links14.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.07
Average Nodes In Shell32.00
Average Hubs In Shell11.00
Average Links In Shell41.00
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 🔍)