CodeT5U
Name(4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine
SynonymsRO5256390
Identifier(4~{S})-4-[(2~{S})-2-phenylbutyl]-1,3-oxazolidin-2-imine
FormulaC13 H18 N2 O
Molecular Weight218.295
SMILES[H]/N=C\1/N[C@H](CO1)C[C@H](CC)c2ccccc2
PubChem24963286
Formal Charge0
Total Atoms34
Total Chiral Atoms2
Total Bonds35
Total Aromatic Bonds6
Networks1
 missing image

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
8W8A A Amine Trace amine receptors TA1 Homo Sapiens RO5256390 - chim(NtGi1L-Gs)/Beta1/Gamma2 2.8 2023-11-22 10.1038/s41586-023-06775-1

A 2D representation of the interactions of T5U in 8W8A
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:D103 R:R:V76 10.22 2 Yes Yes 6 7 1 2
R:R:V76 R:R:Y294 5.05 2 Yes Yes 7 7 2 1
R:R:M77 R:R:Y294 7.18 0 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:S107 4.42 2 Yes No 6 6 1 1
R:R:D103 R:R:Y294 6.9 2 Yes Yes 6 7 1 1
L:L:?1 R:R:D103 17.42 2 Yes Yes 0 6 0 1
R:R:A155 R:R:I104 3.25 0 No No 6 4 2 1
L:L:?1 R:R:I104 8.14 2 Yes No 0 4 0 1
R:R:S107 R:R:W264 3.71 2 No Yes 6 8 1 1
L:L:?1 R:R:S107 11.78 2 Yes No 0 6 0 1
R:R:S108 R:R:S198 6.52 0 No No 5 6 2 1
R:R:I111 R:R:W264 11.74 0 No Yes 8 8 2 1
R:R:F186 R:R:M158 3.73 2 Yes No 1 5 1 2
R:R:F186 R:R:V184 5.24 2 Yes No 1 4 1 1
L:L:?1 R:R:V184 4.25 2 Yes No 0 4 0 1
R:R:F186 R:R:S190 5.28 2 Yes No 1 6 1 2
R:R:F186 R:R:T194 9.08 2 Yes No 1 5 1 2
L:L:?1 R:R:F186 3.48 2 Yes Yes 0 1 0 1
R:R:F195 R:R:F199 8.57 2 Yes Yes 5 8 2 2
R:R:F195 R:R:F268 5.36 2 Yes Yes 5 7 2 1
L:L:?1 R:R:S198 4.28 2 Yes No 0 6 0 1
R:R:F199 R:R:F260 5.36 2 Yes Yes 8 9 2 2
R:R:F199 R:R:W264 4.01 2 Yes Yes 8 8 2 1
R:R:F199 R:R:F268 19.29 2 Yes Yes 8 7 2 1
R:R:F260 R:R:W264 7.02 2 Yes Yes 9 8 2 1
R:R:F268 R:R:W264 5.01 2 Yes Yes 7 8 1 1
R:R:G293 R:R:W264 5.63 0 No Yes 7 8 2 1
R:R:N296 R:R:W264 14.69 0 No Yes 9 8 2 1
L:L:?1 R:R:W264 12.19 2 Yes Yes 0 8 0 1
R:R:F267 R:R:F268 5.36 2 Yes Yes 5 7 1 1
R:R:F267 R:R:T271 11.67 2 Yes No 5 5 1 2
R:R:F267 R:R:L289 3.65 2 Yes Yes 5 5 1 2
R:R:F267 R:R:I290 6.28 2 Yes No 5 5 1 1
L:L:?1 R:R:F267 10.43 2 Yes Yes 0 5 0 1
L:L:?1 R:R:F268 4.34 2 Yes Yes 0 7 0 1
L:L:?1 R:R:I290 8.14 2 Yes No 0 5 0 1
R:R:W291 R:R:Y294 9.65 0 Yes Yes 4 7 2 1
L:L:?1 R:R:Y294 17.56 2 Yes Yes 0 7 0 1
R:R:F186 R:R:G191 3.01 2 Yes No 1 4 1 2
R:R:F267 R:R:N286 2.42 2 Yes No 5 4 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.27
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00
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 Hub6.00
Average Interaction Strength9.27
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)