CodeKNT
NamePranlukast
Synonyms
  • Pranlukast
  • Pranlukast hydrate
Identifier~{N}-[4-oxidanylidene-2-(1~{H}-1,2,3,4-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide
FormulaC27 H23 N5 O4
Molecular Weight481.503
SMILESc1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5
PubChem4887
Formal Charge0
Total Atoms59
Total Chiral Atoms0
Total Bonds63
Total Aromatic Bonds23
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
6RZ4 A Lipid Leukotriene CysLT1 Homo sapiens Pranlukast Na - 2.7 2019-10-30 10.1126/sciadv.aax2518

A 2D representation of the interactions of KNT in 6RZ4
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:L281 R:R:Y26 8.21 0 No Yes 6 5 1 2
R:R:T100 R:R:Y104 4.99 0 No No 4 5 2 1
R:R:F158 R:R:Y104 18.57 1 No No 4 5 1 1
L:L:?1 R:R:Y104 14.61 1 Yes No 0 5 0 1
R:R:L107 R:R:Y108 5.86 0 No Yes 8 7 2 1
R:R:S193 R:R:Y108 7.63 1 No Yes 5 7 1 1
R:R:H250 R:R:Y108 8.71 1 Yes Yes 8 7 2 1
R:R:R253 R:R:Y108 5.14 1 Yes Yes 7 7 1 1
L:L:?1 R:R:Y108 9.13 1 Yes Yes 0 7 0 1
R:R:F150 R:R:T154 10.38 0 No No 4 4 2 1
L:L:?1 R:R:T154 8.42 1 Yes No 0 4 0 1
R:R:L189 R:R:P157 4.93 1 No No 5 7 1 2
R:R:F158 R:R:L189 3.65 1 No No 4 5 1 1
L:L:?1 R:R:F158 8.22 1 Yes No 0 4 0 1
R:R:E175 R:R:P176 6.29 0 Yes No 4 3 2 1
L:L:?1 R:R:P176 8.53 1 Yes No 0 3 0 1
R:R:L187 R:R:L257 5.54 0 No No 3 5 2 1
L:L:?1 R:R:L189 4.31 1 Yes No 0 5 0 1
R:R:H190 R:R:R253 18.05 1 Yes Yes 4 7 2 1
R:R:H190 R:R:L257 7.71 1 Yes No 4 5 2 1
R:R:R253 R:R:S193 5.27 1 Yes No 7 5 1 1
L:L:?1 R:R:S193 11.69 1 Yes No 0 5 0 1
R:R:H250 R:R:Y249 13.07 1 Yes No 8 7 2 2
R:R:R253 R:R:Y249 13.38 1 Yes No 7 7 1 2
R:R:H250 R:R:R253 6.77 1 Yes Yes 8 7 2 1
R:R:H256 R:R:Q252 11.13 1 Yes Yes 4 5 1 2
R:R:Q252 R:R:V277 7.16 1 Yes No 5 4 2 2
L:L:?1 R:R:R253 13.25 1 Yes Yes 0 7 0 1
R:R:H256 R:R:L260 7.71 1 Yes No 4 3 1 2
R:R:H256 R:R:M273 7.88 1 Yes No 4 4 1 2
R:R:H256 R:R:V277 5.54 1 Yes No 4 4 1 2
L:L:?1 R:R:H256 6.68 1 Yes Yes 0 4 0 1
L:L:?1 R:R:L257 5.03 1 Yes No 0 5 0 1
L:L:?1 R:R:L281 7.19 1 Yes No 0 6 0 1
L:L:?1 R:R:V192 2.32 1 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.28
Average Nodes In Shell27.00
Average Hubs In Shell9.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell29.00
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 Strength8.28
Average Nodes In Shell27.00
Average Hubs In Shell9.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell29.00

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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 🔍)