CodeYNH
Namemethyl 3-[2-(2,4-dimethylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate
Synonyms
Identifier
FormulaC24 H31 N3 O4
Molecular Weight425.521
SMILES
PubChem7346086
Formal Charge0
Total Atoms62
Total Chiral Atoms0
Total Bonds64
Total Aromatic Bonds12
Networks2
 missing image

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
8X9T B2 Adhesion Adhesion ADGRD1 Homo Sapiens AP503 - chim(NtGi1-Gs)/Beta1/Gamma2 2.75 2025-02-12 doi.org/10.1016/j.cell.2025.01.006

A 2D representation of the interactions of YNH in 8X9T
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
L:L:?1 R:R:L619 7.91 10 Yes No 0 9 0 1
L:L:?1 R:R:F623 5.57 10 Yes No 0 6 0 1
L:L:?1 R:R:F643 8.36 10 Yes No 0 8 0 1
L:L:?1 R:R:W705 17.58 10 Yes Yes 0 9 0 1
L:L:?1 R:R:F716 14.62 10 Yes No 0 9 0 1
L:L:?1 R:R:W773 7.16 10 Yes Yes 0 9 0 1
L:L:?1 R:R:F787 9.75 10 Yes Yes 0 7 0 1
L:L:?1 R:R:F791 31.34 10 Yes No 0 9 0 1
L:L:?1 R:R:N795 5.5 10 Yes Yes 0 9 0 1
R:R:F623 R:R:S570 6.61 10 No No 6 7 1 2
R:R:C574 R:R:N795 4.72 0 No Yes 8 9 2 1
R:R:A615 R:R:F643 9.71 0 No No 9 8 2 1
R:R:N795 R:R:Q616 14.52 10 Yes Yes 9 8 1 2
R:R:F623 R:R:L619 4.87 10 No No 6 9 1 1
R:R:S622 R:R:W705 4.94 0 No Yes 8 9 2 1
R:R:F716 R:R:H640 6.79 0 No Yes 9 9 1 2
R:R:F647 R:R:F716 5.36 0 Yes No 9 9 2 1
R:R:F647 R:R:W773 10.02 0 Yes Yes 9 9 2 1
R:R:M650 R:R:W773 4.65 10 No Yes 9 9 2 1
R:R:M650 R:R:Q798 9.52 10 No Yes 9 9 2 2
R:R:N703 R:R:W705 15.82 0 No Yes 7 9 2 1
R:R:L708 R:R:W705 7.97 0 No Yes 7 9 2 1
R:R:F787 R:R:L708 10.96 10 Yes No 7 7 1 2
R:R:V717 R:R:W714 7.36 0 No No 8 8 1 2
R:R:L794 R:R:W773 9.11 0 No Yes 6 9 2 1
R:R:N795 R:R:W773 10.17 10 Yes Yes 9 9 1 1
R:R:Q798 R:R:W773 10.95 10 Yes Yes 9 9 2 1
R:R:F791 R:R:G776 4.52 10 No No 9 9 1 2
R:R:N781 R:R:V780 10.35 0 No No 7 7 2 1
R:R:F787 R:R:F791 11.79 10 Yes No 7 9 1 1
R:R:L721 R:R:V717 2.98 0 No No 7 8 2 1
R:R:A779 R:R:F787 2.77 0 No Yes 8 7 2 1
L:L:?1 R:R:V717 2.56 10 Yes No 0 8 0 1
L:L:?1 R:R:V780 1.7 10 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.19
Average Nodes In Shell29.00
Average Hubs In Shell9.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell27.00
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 Strength10.19
Average Nodes In Shell29.00
Average Hubs In Shell9.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell27.00

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 🔍)