CodeOWY
Name4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
Synonyms
Identifier4-[(~{R})-[(2~{S},5~{R})-2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]-~{N},~{N}-diethyl-benzamide
FormulaC31 H39 N3 O2
Molecular Weight485.66
SMILESCCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)O)N3C[C@H](N(C[C@@H]3C)Cc4ccccc4)C
PubChem58619550
Formal Charge0
Total Atoms75
Total Chiral Atoms3
Total Bonds78
Total Aromatic Bonds18
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
6PT3 A Peptide Opioid DOP Homo sapiens DPI-287 - - 3.3 2019-12-11 10.1126/sciadv.aax9115

A 2D representation of the interactions of OWY in 6PT3
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:L102 R:R:Y56 4.69 0 Yes Yes 7 7 2 2
R:R:H301 R:R:Y56 11.98 1 Yes Yes 4 7 2 2
R:R:I304 R:R:Y56 8.46 1 No Yes 5 7 1 2
R:R:A98 R:R:S131 3.42 1 No No 6 8 1 1
L:L:?1 R:R:A98 3.85 1 Yes No 0 6 0 1
R:R:T101 R:R:Y308 4.99 0 No Yes 7 7 2 1
R:R:L102 R:R:Y308 16.41 0 Yes Yes 7 7 2 1
R:R:Q105 R:R:Y308 5.64 0 No Yes 5 7 2 1
R:R:D128 R:R:Y308 4.6 1 No Yes 5 7 1 1
L:L:?1 R:R:D128 19.88 1 Yes No 0 5 0 1
R:R:I183 R:R:Y129 15.71 1 No No 4 5 2 1
R:R:L200 R:R:Y129 3.52 1 No No 4 5 2 1
L:L:?1 R:R:Y129 7.15 1 Yes No 0 5 0 1
L:L:?1 R:R:S131 3.67 1 Yes No 0 8 0 1
R:R:M132 R:R:W274 9.31 1 No Yes 8 8 1 1
L:L:?1 R:R:M132 9.49 1 Yes No 0 8 0 1
R:R:F133 R:R:V217 3.93 8 Yes No 7 5 2 1
R:R:S135 R:R:S311 6.52 0 No No 9 9 2 1
R:R:I183 R:R:L200 7.14 1 No No 4 4 2 2
R:R:D210 R:R:K214 8.3 0 No No 4 5 2 1
L:L:?1 R:R:K214 3.44 1 Yes No 0 5 0 1
L:L:?1 R:R:V217 4.55 1 Yes No 0 5 0 1
R:R:F218 R:R:F222 9.65 1 No Yes 5 8 2 2
R:R:F218 R:R:H278 6.79 1 No Yes 5 7 2 1
R:R:F222 R:R:H278 13.58 1 Yes Yes 8 7 2 1
R:R:F270 R:R:W274 13.03 1 Yes Yes 9 8 2 1
R:R:F270 R:R:N310 6.04 1 Yes Yes 9 9 2 2
R:R:H278 R:R:W274 6.35 1 Yes Yes 7 8 1 1
R:R:G307 R:R:W274 8.44 0 No Yes 7 8 2 1
R:R:N310 R:R:W274 7.91 1 Yes Yes 9 8 2 1
L:L:?1 R:R:W274 6.26 1 Yes Yes 0 8 0 1
L:L:?1 R:R:I277 7.84 1 Yes No 0 5 0 1
L:L:?1 R:R:H278 4.71 1 Yes Yes 0 7 0 1
R:R:F280 R:R:W284 4.01 0 Yes No 5 4 2 1
R:R:F280 R:R:L300 9.74 0 Yes Yes 5 5 2 1
L:L:?1 R:R:V281 17.27 1 Yes No 0 6 0 1
R:R:R291 R:R:W284 4 0 No No 1 4 2 1
L:L:?1 R:R:W284 13.9 1 Yes No 0 4 0 1
R:R:H301 R:R:L300 5.14 1 Yes Yes 4 5 2 1
R:R:I304 R:R:L300 7.14 1 No Yes 5 5 1 1
L:L:?1 R:R:L300 5.91 1 Yes Yes 0 5 0 1
L:L:?1 R:R:I304 3.48 1 Yes No 0 5 0 1
L:L:?1 R:R:Y308 12.88 1 Yes Yes 0 7 0 1
L:L:?1 R:R:S311 3.67 1 Yes No 0 9 0 1
R:R:K214 R:R:T285 3 0 No No 5 4 1 2
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.00
Average Nodes In Shell35.00
Average Hubs In Shell13.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell37.00
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 Links16.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.00
Average Nodes In Shell35.00
Average Hubs In Shell13.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell37.00

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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 🔍)