CodeWI5
NameWIN 55212-2
Synonyms
  • (2,3-Dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl)methanone monomethanesulfonate
  • WIN 55212-2
  • WIN 55212-2 mesylate
Identifier[(11~{R})-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-yl-methanone
FormulaC27 H26 N2 O3
Molecular Weight426.507
SMILESCc1c(c2cccc3c2n1[C@@H](CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6
PubChem5311501
Formal Charge0
Total Atoms58
Total Chiral Atoms1
Total Bonds63
Total Aromatic Bonds21
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
6PT0 A Lipid Cannabinoid CB2 Homo sapiens WIN 55212-2 - Gi1/Beta1/Gamma2 3.2 2020-02-12 10.1016/j.cell.2020.01.007

A 2D representation of the interactions of WI5 in 6PT0
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:P184 R:R:Y25 15.3 0 No No 5 4 1 2
R:R:F94 R:R:M26 7.46 0 No No 3 6 1 2
R:R:F87 R:R:S285 6.61 5 No No 6 5 1 1
R:R:F87 R:R:L289 9.74 5 No No 6 6 1 2
L:L:?1 R:R:F87 5.94 5 Yes No 0 6 0 1
R:R:K109 R:R:S90 10.71 0 No No 5 4 2 1
R:R:S90 R:R:V113 3.23 0 No No 4 5 1 2
L:L:?1 R:R:S90 6.27 5 Yes No 0 4 0 1
R:R:F94 R:R:H95 12.44 0 No No 3 4 1 2
L:L:?1 R:R:F94 12.72 5 Yes No 0 3 0 1
R:R:F106 R:R:K109 4.96 0 No No 9 5 2 2
R:R:F106 R:R:I110 7.54 0 No No 9 4 2 1
R:R:F106 R:R:P184 4.33 0 No No 9 5 2 1
L:L:?1 R:R:I110 2.98 5 Yes No 0 4 0 1
R:R:G111 R:R:T114 3.64 0 No Yes 6 4 2 1
R:R:S165 R:R:T114 7.99 0 No Yes 7 4 2 1
R:R:T114 R:R:W194 6.06 5 Yes Yes 4 5 1 1
L:L:?1 R:R:T114 13.34 5 Yes Yes 0 4 0 1
R:R:T118 R:R:W194 7.28 0 No Yes 6 5 2 1
R:R:L167 R:R:P168 3.28 5 No No 5 5 2 2
R:R:L167 R:R:W172 6.83 5 No Yes 5 5 2 2
R:R:L167 R:R:Y190 5.86 5 No Yes 5 7 2 1
R:R:P168 R:R:Y190 15.3 5 No Yes 5 7 2 1
R:R:P187 R:R:W172 5.4 0 No Yes 4 5 2 2
R:R:W172 R:R:Y190 3.86 5 Yes Yes 5 7 2 1
R:R:F183 R:R:L182 13.4 5 Yes Yes 6 4 1 2
R:R:L182 R:R:M265 2.83 5 Yes No 4 6 2 2
R:R:F281 R:R:L182 18.27 5 Yes Yes 4 4 1 2
R:R:F183 R:R:L191 3.65 5 Yes No 6 5 1 2
R:R:F183 R:R:M265 4.98 5 Yes No 6 6 1 2
R:R:F183 R:R:F281 5.36 5 Yes Yes 6 4 1 1
L:L:?1 R:R:F183 21.2 5 Yes Yes 0 6 0 1
L:L:?1 R:R:P184 4.57 5 Yes No 0 5 0 1
R:R:I186 R:R:P187 3.39 0 No No 5 4 1 2
L:L:?1 R:R:I186 3.98 5 Yes No 0 5 0 1
L:L:?1 R:R:Y190 4.9 5 Yes Yes 0 7 0 1
R:R:I198 R:R:W194 5.87 5 No Yes 7 5 2 1
R:R:M265 R:R:W194 3.49 5 No Yes 6 5 2 1
L:L:?1 R:R:W194 13.48 5 Yes Yes 0 5 0 1
R:R:F281 R:R:L264 4.87 5 Yes No 4 4 1 2
L:L:?1 R:R:F281 3.39 5 Yes Yes 0 4 0 1
L:L:?1 R:R:S285 7.32 5 Yes No 0 5 0 1
R:R:F281 R:R:V261 2.62 5 Yes No 4 6 1 2
R:R:I186 R:R:L107 1.43 0 No No 5 5 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.34
Average Nodes In Shell34.00
Average Hubs In Shell8.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell31.00
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 Hub5.00
Average Interaction Strength8.34
Average Nodes In Shell34.00
Average Hubs In Shell8.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell31.00

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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 🔍)