CodeH46
Name~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
Synonyms
Identifier~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
FormulaC34 H36 F N5 O2
Molecular Weight565.68
SMILESCCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5
PubChem25151875
Formal Charge0
Total Atoms78
Total Chiral Atoms1
Total Bonds82
Total Aromatic Bonds24
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
7DDZ A Peptide Neuropeptide Y Y2 Homo sapiens JNJ-31020028 - - 2.8 2021-01-27 10.1038/s41467-021-21030-9

A 2D representation of the interactions of H46 in 7DDZ
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:T107 R:R:Y57 3.75 0 No Yes 6 7 1 2
R:R:H311 R:R:Y57 8.71 1 Yes Yes 5 7 1 2
R:R:C103 R:R:Q130 9.16 0 Yes No 6 6 2 1
L:L:?1 R:R:T107 9.97 1 Yes No 0 6 0 1
R:R:W116 R:R:Y110 8.68 1 Yes No 8 5 1 1
L:L:?1 R:R:Y110 3.6 1 Yes No 0 5 0 1
R:R:M118 R:R:W116 10.47 1 Yes Yes 7 8 2 1
R:R:C123 R:R:W116 5.22 1 No Yes 9 8 2 1
R:R:W116 R:R:Y189 3.86 1 Yes Yes 8 5 1 2
L:L:?1 R:R:W116 4.2 1 Yes Yes 0 8 0 1
R:R:C123 R:R:Y189 4.03 1 No Yes 9 5 2 2
R:R:C123 R:R:C203 7.28 1 No No 9 9 2 2
R:R:H124 R:R:R187 3.39 0 No Yes 7 6 2 1
R:R:P127 R:R:R187 12.97 0 No Yes 5 6 2 1
R:R:H311 R:R:Q130 8.65 1 Yes No 5 6 1 1
L:L:?1 R:R:Q130 11.46 1 Yes No 0 6 0 1
L:L:?1 R:R:G131 4.21 1 Yes No 0 4 0 1
R:R:V134 R:R:W281 6.13 0 No Yes 7 8 1 2
L:L:?1 R:R:V134 8.25 1 Yes No 0 7 0 1
R:R:Q135 R:R:S176 4.33 0 Yes Yes 6 8 1 2
R:R:L179 R:R:Q135 3.99 0 No Yes 5 6 2 1
R:R:L227 R:R:Q135 14.64 0 No Yes 6 6 2 1
L:L:?1 R:R:Q135 3.27 1 Yes Yes 0 6 0 1
R:R:P182 R:R:Y219 15.3 0 No Yes 8 6 2 1
R:R:L183 R:R:Y219 4.69 1 No Yes 5 6 1 1
L:L:?1 R:R:L183 5.96 1 Yes No 0 5 0 1
R:R:C203 R:R:R187 4.18 0 No Yes 9 6 2 1
R:R:E205 R:R:R187 5.82 0 No Yes 4 6 2 1
L:L:?1 R:R:R187 8.22 1 Yes Yes 0 6 0 1
R:R:S223 R:R:Y219 7.63 1 No Yes 5 6 1 1
L:L:?1 R:R:Y219 3.6 1 Yes Yes 0 6 0 1
R:R:D292 R:R:S220 7.36 0 No No 5 4 2 1
L:L:?1 R:R:S220 4.62 1 Yes No 0 4 0 1
L:L:?1 R:R:S223 3.69 1 Yes No 0 5 0 1
R:R:L224 R:R:Y228 3.52 1 Yes No 5 8 1 2
R:R:H285 R:R:L224 6.43 1 Yes Yes 7 5 1 1
L:L:?1 R:R:L224 3.41 1 Yes Yes 0 5 0 1
R:R:H285 R:R:Y228 9.8 1 Yes No 7 8 1 2
R:R:H285 R:R:W281 10.58 1 Yes Yes 7 8 1 2
R:R:L284 R:R:Q288 7.99 0 No No 6 5 2 1
R:R:F307 R:R:L284 7.31 0 No No 4 6 1 2
R:R:H285 R:R:Q288 6.18 1 Yes No 7 5 1 1
L:L:?1 R:R:H285 11.07 1 Yes Yes 0 7 0 1
R:R:F287 R:R:F307 7.5 6 Yes No 4 4 2 1
L:L:?1 R:R:Q288 12.28 1 Yes No 0 5 0 1
R:R:L305 R:R:T308 4.42 0 No No 1 3 2 1
L:L:?1 R:R:F307 8.24 1 Yes No 0 4 0 1
R:R:H311 R:R:M315 13.13 1 Yes No 5 7 1 2
L:L:?1 R:R:H311 9.49 1 Yes Yes 0 5 0 1
R:R:A180 R:R:G131 1.95 0 No No 7 4 2 1
L:L:?1 R:R:T308 1.81 1 Yes No 0 3 0 1
R:R:L224 R:R:L289 1.38 1 Yes No 5 5 1 2
R:R:A202 R:R:Y110 1.33 0 No No 4 5 2 1
StatisticsValue
Average Number Of Links18.00
Average Number Of Links With An Hub7.00
Average Interaction Strength6.52
Average Nodes In Shell42.00
Average Hubs In Shell15.00
Average Links In Shell53.00
Average Links Mediated by Hubs In Shell46.00
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 Links18.00
Average Number Of Links With An Hub7.00
Average Interaction Strength6.52
Average Nodes In Shell42.00
Average Hubs In Shell15.00
Average Links In Shell53.00
Average Links Mediated by Hubs In Shell46.00

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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 🔍)