CodeWV8
Name(2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine
Synonyms
Identifier(4~{S})-4-[(2~{S})-2-phenylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
FormulaC13 H18 N2 O
Molecular Weight218.295
SMILESCC[C@@H](C[C@H]1COC(=N1)N)c2ccccc2
PubChem24963286
Formal Charge0
Total Atoms34
Total Chiral Atoms2
Total Bonds35
Total Aromatic Bonds6
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
8UHB A Amine Trace amine receptors TA1 Homo Sapiens RO5256390 - Gs/Beta1/Gamma2 3.35 2024-01-10 10.1038/s41467-023-44601-4

A 2D representation of the interactions of WV8 in 8UHB
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:L72 R:R:V76 5.96 0 Yes Yes 7 7 2 2
R:R:L72 R:R:Y294 5.86 0 Yes Yes 7 7 2 1
R:R:D103 R:R:V76 5.84 1 No Yes 6 7 1 2
R:R:M77 R:R:W291 5.82 1 Yes Yes 7 4 2 2
R:R:M77 R:R:Y294 16.76 1 Yes Yes 7 7 2 1
R:R:S80 R:R:Y294 8.9 0 No Yes 6 7 2 1
R:R:D103 R:R:Y294 9.2 1 No Yes 6 7 1 1
L:L:?1 R:R:D103 18.93 1 Yes No 0 6 0 1
L:L:?1 R:R:I104 8.38 1 Yes No 0 4 0 1
R:R:S107 R:R:W264 4.94 1 No Yes 6 8 1 1
L:L:?1 R:R:S107 12.13 1 Yes No 0 6 0 1
R:R:S108 R:R:S198 4.89 0 No No 5 6 2 1
R:R:F186 R:R:M158 3.73 0 Yes Yes 1 5 1 2
L:L:?1 R:R:V184 4.38 1 Yes No 0 4 0 1
R:R:F186 R:R:T194 6.49 0 Yes No 1 5 1 2
L:L:?1 R:R:F186 3.58 1 Yes Yes 0 1 0 1
R:R:F195 R:R:F199 8.57 1 Yes Yes 5 8 2 2
R:R:F195 R:R:F268 4.29 1 Yes Yes 5 7 2 1
L:L:?1 R:R:S198 4.41 1 Yes No 0 6 0 1
R:R:F199 R:R:F268 18.22 1 Yes Yes 8 7 2 1
R:R:F268 R:R:W264 9.02 1 Yes Yes 7 8 1 1
R:R:G293 R:R:W264 4.22 0 No Yes 7 8 2 1
R:R:N296 R:R:W264 16.95 0 No Yes 9 8 2 1
L:L:?1 R:R:W264 10.04 1 Yes Yes 0 8 0 1
R:R:F267 R:R:T271 9.08 0 No No 5 5 1 2
L:L:?1 R:R:F267 14.31 1 Yes No 0 5 0 1
L:L:?1 R:R:F268 5.37 1 Yes Yes 0 7 0 1
R:R:I290 R:R:Y294 4.84 0 No Yes 5 7 2 1
R:R:W291 R:R:Y294 10.61 1 Yes Yes 4 7 2 1
L:L:?1 R:R:Y294 13.77 1 Yes Yes 0 7 0 1
R:R:A155 R:R:I104 3.25 0 No No 6 4 2 1
R:R:T100 R:R:V184 3.17 0 No No 4 4 2 1
R:R:F186 R:R:G191 3.01 0 Yes No 1 4 1 2
R:R:I104 R:R:I159 2.94 0 No No 4 6 1 2
R:R:F267 R:R:L289 2.44 0 No No 5 5 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.53
Average Nodes In Shell30.00
Average Hubs In Shell12.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell29.00
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 Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.53
Average Nodes In Shell30.00
Average Hubs In Shell12.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell29.00

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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 🔍)