CodeZL9
Name6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one
Synonyms
Identifier
FormulaC20 H24 N2 O5
Molecular Weight372.415
SMILES
PubChem171392444
Formal Charge0
Total Atoms51
Total Chiral Atoms0
Total Bonds53
Total Aromatic Bonds12
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8PJK A Amine 5-Hydroxytryptamine 5-HT1A Homo Sapiens ST171 - Gi1/Beta1/Gamma1 2.4 2024-05-29 doi.org/10.1126/sciadv.adv9267

A 2D representation of the interactions of ZL9 in 8PJK
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:D116 R:R:V89 8.76 1 Yes No 8 8 1 2
R:R:V89 R:R:Y390 3.79 1 No Yes 8 8 2 1
R:R:L90 R:R:Y390 7.03 0 Yes Yes 8 8 2 1
R:R:W102 R:R:Y96 7.72 1 Yes No 9 6 2 1
L:L:?1 R:R:Y96 17.88 1 Yes No 0 6 0 1
R:R:A383 R:R:Q97 4.55 0 No No 6 7 2 1
R:R:Q97 R:R:W387 13.14 0 No No 7 8 1 2
L:L:?1 R:R:Q97 9.75 1 Yes No 0 7 0 1
R:R:C120 R:R:D116 4.67 1 No Yes 7 8 1 1
R:R:D116 R:R:Y390 11.49 1 Yes Yes 8 8 1 1
L:L:?1 R:R:D116 11.59 1 Yes Yes 0 8 0 1
L:L:?1 R:R:V117 7.27 1 Yes No 0 8 0 1
R:R:C120 R:R:W358 5.22 1 No Yes 7 8 1 2
L:L:?1 R:R:C120 4.84 1 Yes No 0 7 0 1
R:R:I189 R:R:Y195 3.63 0 No Yes 6 8 1 2
L:L:?1 R:R:I189 4.36 1 Yes No 0 6 0 1
R:R:S199 R:R:Y195 8.9 0 No Yes 8 8 1 2
L:L:?1 R:R:S199 3.67 1 Yes No 0 8 0 1
R:R:F204 R:R:F362 22.51 0 Yes Yes 8 7 2 1
R:R:F361 R:R:W358 7.02 1 Yes Yes 8 8 1 2
R:R:F362 R:R:W358 9.02 1 Yes Yes 7 8 1 2
R:R:F361 R:R:F362 12.86 1 Yes Yes 8 7 1 1
R:R:F361 R:R:N386 3.62 1 Yes No 8 7 1 1
L:L:?1 R:R:F361 17.84 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F362 6.69 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N386 4.19 1 Yes No 0 7 0 1
R:R:W387 R:R:Y390 7.72 0 No Yes 8 8 2 1
L:L:?1 R:R:Y390 12.16 1 Yes Yes 0 8 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.11
Average Nodes In Shell20.00
Average Hubs In Shell10.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell26.00
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 Hub4.00
Average Interaction Strength9.11
Average Nodes In Shell21.50
Average Hubs In Shell11.00
Average Links In Shell30.50
Average Links Mediated by Hubs In Shell28.00

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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 🔍)