CodeKNF
NameOlorinab
Synonyms(2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanylpyrazin-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide
Identifier(2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanidylpyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide
FormulaC18 H23 N5 O3
Molecular Weight357.407
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1c2c(n(n1)c3c[n+](ccn3)[O-])[C@H]4C[C@H]4C2
PubChem60164925
Formal Charge0
Total Atoms49
Total Chiral Atoms3
Total Bonds52
Total Aromatic Bonds11
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
8GUQ A Lipid Cannabinoid CB2 Homo sapiens Olorinab - Gi1/Beta1/Gamma2 3.08 2023-05-10 10.1038/s41467-023-37112-9

A 2D representation of the interactions of KNF in 8GUQ
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:F94 R:R:M22 3.73 2 Yes Yes 3 7 1 2
R:R:F106 R:R:M22 17.42 2 No Yes 9 7 2 2
R:R:F94 R:R:M26 6.22 2 Yes No 3 6 1 2
R:R:H95 R:R:M26 9.19 2 Yes No 4 6 2 2
R:R:A83 R:R:F117 4.16 0 No Yes 8 6 2 1
R:R:F87 R:R:F91 7.5 0 Yes Yes 6 6 1 2
R:R:F87 R:R:V113 3.93 0 Yes No 6 5 1 2
R:R:F87 R:R:L289 7.31 0 Yes No 6 6 1 2
L:L:?1 R:R:F87 3.44 2 Yes Yes 0 6 0 1
R:R:F91 R:R:H95 13.58 0 Yes Yes 6 4 2 2
R:R:F94 R:R:H95 3.39 2 Yes Yes 3 4 1 2
L:L:?1 R:R:F94 5.16 2 Yes Yes 0 3 0 1
R:R:F106 R:R:I110 6.28 2 No Yes 9 4 2 1
R:R:F183 R:R:I110 3.77 2 Yes Yes 6 4 1 1
R:R:I110 R:R:I186 5.89 2 Yes Yes 4 5 1 1
L:L:?1 R:R:I110 12.09 2 Yes Yes 0 4 0 1
R:R:T114 R:R:W194 4.85 2 No Yes 4 5 1 1
L:L:?1 R:R:T114 16.65 2 Yes No 0 4 0 1
R:R:F117 R:R:W258 7.02 2 Yes Yes 6 8 1 2
R:R:C288 R:R:F117 8.38 2 No Yes 7 6 2 1
L:L:?1 R:R:F117 5.16 2 Yes Yes 0 6 0 1
R:R:T118 R:R:W194 3.64 2 No Yes 6 5 2 1
R:R:I198 R:R:T118 4.56 2 No No 7 6 2 2
R:R:I186 R:R:P168 3.39 2 Yes No 5 5 1 2
R:R:F183 R:R:I186 3.77 2 Yes Yes 6 5 1 1
R:R:F183 R:R:L191 7.31 2 Yes No 6 5 1 1
R:R:F183 R:R:M265 3.73 2 Yes Yes 6 6 1 2
R:R:F183 R:R:F281 5.36 2 Yes Yes 6 4 1 2
L:L:?1 R:R:F183 38.69 2 Yes Yes 0 6 0 1
R:R:I186 R:R:P187 5.08 2 Yes Yes 5 4 1 2
L:L:?1 R:R:I186 5.04 2 Yes Yes 0 5 0 1
R:R:P187 R:R:Y190 5.56 2 Yes No 4 7 2 2
R:R:W194 R:R:Y190 6.75 2 Yes No 5 7 1 2
R:R:L191 R:R:M265 5.65 2 No Yes 5 6 1 2
L:L:?1 R:R:L191 3.91 2 Yes No 0 5 0 1
R:R:I198 R:R:W194 11.74 2 No Yes 7 5 2 1
R:R:M265 R:R:W194 3.49 2 Yes Yes 6 5 2 1
L:L:?1 R:R:W194 15.28 2 Yes Yes 0 5 0 1
R:R:C288 R:R:W258 3.92 2 No Yes 7 8 2 2
L:L:?1 R:R:S285 6.36 2 Yes No 0 5 0 1
L:L:?1 R:R:S90 3.18 2 Yes No 0 4 0 1
R:R:I186 R:R:S180 3.1 2 Yes No 5 4 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength10.45
Average Nodes In Shell30.00
Average Hubs In Shell15.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell41.00
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 Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength10.45
Average Nodes In Shell30.00
Average Hubs In Shell15.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell41.00

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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 🔍)