CodeETQ
NameEticlopride
Synonyms
  • Eticlopride
  • Eticloprida
  • Eticlopridum
  • Eticlopride hydrochloride
Identifier5-chloro-3-ethyl-N-[[(1R,2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxy-benzamide
FormulaC17 H25 Cl N2 O3
Molecular Weight340.845
SMILESCCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl
PubChem57267
Formal Charge0
Total Atoms48
Total Chiral Atoms1
Total Bonds49
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
3PBL A Amine Dopamine D3 Homo sapiens Eticlopride - - 2.89 2010-11-03 10.1126/science.1197410

A 2D representation of the interactions of ETQ in 3PBL
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:D110 R:R:V82 7.3 1 No No 8 8 1 2
R:R:V82 R:R:Y373 3.79 1 No Yes 8 8 2 1
R:R:M83 R:R:Y373 8.38 0 Yes Yes 8 8 2 1
R:R:V86 R:R:Y373 5.05 0 No Yes 8 8 2 1
R:R:D110 R:R:Y373 9.2 1 No Yes 8 8 1 1
L:L:?1 R:R:D110 21.08 1 Yes No 0 8 0 1
R:R:S165 R:R:V111 6.46 0 No No 8 8 2 1
L:L:?1 R:R:V111 8.41 1 Yes No 0 8 0 1
L:L:?1 R:R:I183 16.12 1 Yes No 0 7 0 1
R:R:H349 R:R:V189 4.15 1 Yes No 8 7 1 2
R:R:S192 R:R:S196 4.89 0 No No 8 8 1 2
L:L:?1 R:R:S192 8.48 1 Yes No 0 8 0 1
R:R:F197 R:R:F346 18.22 0 No No 9 7 2 1
R:R:F345 R:R:W342 5.01 1 Yes Yes 8 8 1 2
R:R:F346 R:R:W342 5.01 0 No Yes 7 8 1 2
R:R:F345 R:R:H349 12.44 1 Yes Yes 8 8 1 1
R:R:F345 R:R:Y365 5.16 1 Yes Yes 8 4 1 2
L:L:?1 R:R:F345 15.47 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F346 8.6 1 Yes No 0 7 0 1
R:R:H349 R:R:Y365 9.8 1 Yes Yes 8 4 1 2
L:L:?1 R:R:H349 12.71 1 Yes Yes 0 8 0 1
L:L:?1 R:R:Y373 7.45 1 Yes Yes 0 8 0 1
R:R:I183 R:R:V107 3.07 0 No No 7 7 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength12.29
Average Nodes In Shell19.00
Average Hubs In Shell7.00
Average Links In Shell23.00
Average Links Mediated by Hubs In Shell18.00
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 Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength12.29
Average Nodes In Shell19.00
Average Hubs In Shell7.00
Average Links In Shell23.00
Average Links Mediated by Hubs In Shell18.00

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 🔍)