CodeGBK
Name(2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine
Synonyms
Identifier(2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine
FormulaC19 H24 N2 O
Molecular Weight296.407
SMILESCOc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3
PubChem5311057
Formal Charge0
Total Atoms46
Total Chiral Atoms2
Total Bonds48
Total Aromatic Bonds12
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
6HLL A Peptide Tachykinin NK1 Homo sapiens CP99994 - - 3.27 2019-01-16 10.1038/s41467-018-07939-8

A 2D representation of the interactions of GBK in 6HLL
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:M81 R:R:N85 4.21 1 Yes Yes 7 6 2 2
R:R:M81 R:R:P112 5.03 1 Yes No 7 6 2 1
R:R:N85 R:R:P112 11.4 1 Yes No 6 6 2 1
R:R:N109 R:R:Q165 3.96 1 Yes Yes 5 6 2 1
R:R:N109 R:R:S169 8.94 1 Yes No 5 5 2 2
R:R:I182 R:R:N109 8.5 1 Yes Yes 4 5 1 2
L:L:?1 R:R:P112 9.03 1 Yes No 0 6 0 1
R:R:A162 R:R:I113 3.25 0 No Yes 7 5 2 1
R:R:I113 R:R:Q165 5.49 1 Yes Yes 5 6 1 1
R:R:I113 R:R:Y196 6.04 1 Yes Yes 5 6 1 2
R:R:I113 R:R:V200 4.61 1 Yes Yes 5 5 1 1
L:L:?1 R:R:I113 6.73 1 Yes Yes 0 5 0 1
R:R:L161 R:R:V200 4.47 0 No Yes 5 5 2 1
R:R:I182 R:R:Q165 5.49 1 Yes Yes 4 6 1 1
R:R:Q165 R:R:W184 7.67 1 Yes Yes 6 5 1 2
R:R:Q165 R:R:Y196 6.76 1 Yes Yes 6 6 1 2
L:L:?1 R:R:Q165 19.87 1 Yes Yes 0 6 0 1
R:R:I182 R:R:S169 3.1 1 Yes No 4 5 1 2
R:R:I182 R:R:W184 14.09 1 Yes Yes 4 5 1 2
L:L:?1 R:R:I182 3.36 1 Yes Yes 0 4 0 1
R:R:E193 R:R:W184 18.54 1 Yes Yes 4 5 2 2
R:R:W184 R:R:Y196 7.72 1 Yes Yes 5 6 2 2
R:R:H197 R:R:W184 4.23 1 No Yes 5 5 1 2
R:R:E193 R:R:H197 4.92 1 Yes No 4 5 2 1
R:R:V200 R:R:Y196 6.31 1 Yes Yes 5 6 1 2
L:L:?1 R:R:H197 16.16 1 Yes No 0 5 0 1
R:R:I204 R:R:V200 3.07 0 Yes Yes 6 5 2 1
L:L:?1 R:R:V200 5.85 1 Yes Yes 0 5 0 1
R:R:H265 R:R:I204 5.3 1 Yes Yes 7 6 2 2
R:R:F264 R:R:W261 11.02 1 Yes Yes 7 8 1 2
R:R:H265 R:R:W261 3.17 1 Yes Yes 7 8 2 2
R:R:A294 R:R:W261 3.89 1 No Yes 7 8 2 2
R:R:F264 R:R:H265 6.79 1 Yes Yes 7 7 1 2
R:R:F264 R:R:F268 9.65 1 Yes No 7 6 1 1
R:R:F264 R:R:M291 4.98 1 Yes Yes 7 5 1 2
R:R:A294 R:R:F264 4.16 1 No Yes 7 7 2 1
L:L:?1 R:R:F264 19.14 1 Yes Yes 0 7 0 1
R:R:F267 R:R:F268 9.65 0 No No 4 6 2 1
L:L:?1 R:R:F268 23.93 1 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub5.00
Average Interaction Strength13.01
Average Nodes In Shell24.00
Average Hubs In Shell16.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell38.00
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 Links8.00
Average Number Of Links With An Hub5.00
Average Interaction Strength13.01
Average Nodes In Shell24.00
Average Hubs In Shell16.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell38.00

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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 🔍)