CodeZLK
NameZafirlukast
Synonyms
  • cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate
  • Zafirlukast
  • 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide
Identifiercyclopentyl ~{N}-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-indol-5-yl]carbamate
FormulaC31 H33 N3 O6 S
Molecular Weight575.675
SMILESCc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C
PubChem5717
Formal Charge0
Total Atoms74
Total Chiral Atoms0
Total Bonds78
Total Aromatic Bonds22
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
6RZ5 A Lipid Leukotriene CysLT1 Homo sapiens Zafirlukast Na - 2.53 2019-10-30 10.1126/sciadv.aax2518

A 2D representation of the interactions of ZLK in 6RZ5
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:F158 R:R:Y104 12.38 1 No No 4 5 1 1
R:R:Y104 R:R:Y249 4.96 1 No Yes 5 7 1 1
L:L:?1 R:R:Y104 10.7 1 Yes No 0 5 0 1
R:R:L107 R:R:Y108 3.52 0 No Yes 8 7 2 1
R:R:L107 R:R:Y249 3.52 0 No Yes 8 7 2 1
R:R:S193 R:R:Y108 5.09 1 No Yes 5 7 1 1
R:R:H250 R:R:Y108 7.62 1 Yes Yes 8 7 2 1
R:R:R253 R:R:Y108 4.12 1 Yes Yes 7 7 1 1
L:L:?1 R:R:Y108 10.7 1 Yes Yes 0 7 0 1
R:R:F150 R:R:T154 6.49 0 No No 4 4 2 1
L:L:?1 R:R:T154 5.23 1 Yes No 0 4 0 1
R:R:P157 R:R:S156 5.34 0 No No 7 4 1 2
L:L:?1 R:R:P157 5 1 Yes No 0 7 0 1
L:L:?1 R:R:F158 13.59 1 Yes No 0 4 0 1
R:R:L257 R:R:P177 3.28 0 No No 5 4 2 1
L:L:?1 R:R:P177 4.16 1 Yes No 0 4 0 1
R:R:H185 R:R:L189 5.14 0 No No 2 5 2 1
L:L:?1 R:R:L189 9.12 1 Yes No 0 5 0 1
R:R:H190 R:R:R253 15.8 1 Yes Yes 4 7 2 1
R:R:H190 R:R:L257 5.14 1 Yes No 4 5 2 2
R:R:R253 R:R:S193 6.59 1 Yes No 7 5 1 1
L:L:?1 R:R:S193 6.09 1 Yes No 0 5 0 1
R:R:H250 R:R:Y249 9.8 1 Yes Yes 8 7 2 1
R:R:R253 R:R:Y249 9.26 1 Yes Yes 7 7 1 1
L:L:?1 R:R:Y249 10.11 1 Yes Yes 0 7 0 1
R:R:H250 R:R:R253 4.51 1 Yes Yes 8 7 2 1
L:L:?1 R:R:R253 19.1 1 Yes Yes 0 7 0 1
R:R:H256 R:R:L260 6.43 1 No No 4 3 1 2
R:R:H256 R:R:V277 4.15 1 No No 4 4 1 1
L:L:?1 R:R:H256 3.26 1 Yes No 0 4 0 1
L:L:?1 R:R:V277 9.06 1 Yes No 0 4 0 1
R:R:A284 R:R:Y249 2.67 0 No Yes 8 7 2 1
R:R:F158 R:R:T100 2.59 1 No No 4 4 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.84
Average Nodes In Shell23.00
Average Hubs In Shell6.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell25.00
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 Hub3.00
Average Interaction Strength8.84
Average Nodes In Shell23.00
Average Hubs In Shell6.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell25.00

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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 🔍)