CodeOIC
NameL-Octahydroindole-2-carboxylic acid
Synonyms
  • L-Octahydroindole-2-carboxylic acid
  • (2S,3aS,7aS)-2-Carboxyoctahydroindole
  • Perindopril impurity A
  • (2S,3aS,7aS)-Octahydroindole-2-carboxylic acid
Identifier(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
FormulaC9 H15 N O2
Molecular Weight169.221
SMILESC1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O
PubChem7408452
Formal Charge0
Total Atoms27
Total Chiral Atoms3
Total Bonds28
Total Aromatic Bonds0
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
5VBL A Peptide Apelin Apelin Homo sapiens Apelin Mimetic Peptide Agonist - - 2.6 2017-05-31 10.1016/j.str.2017.04.008

A 2D representation of the interactions of OIC in 5VBL
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:K13 R:R:W24 4.64 1 Yes Yes 0 1 1 2
L:L:P16 R:R:W24 14.86 1 Yes Yes 0 1 2 2
R:R:L167 R:R:M183 5.65 1 No No 5 5 2 2
R:R:L167 R:R:Y185 4.69 1 No Yes 5 5 2 1
R:R:L173 R:R:Q180 9.32 1 Yes No 3 2 1 2
R:R:L173 R:R:Y182 11.72 1 Yes No 3 4 1 2
L:L:K13 R:R:L173 4.23 1 Yes Yes 0 3 1 1
L:L:?14 R:R:L173 3.74 1 Yes Yes 0 3 0 1
L:L:E10 R:R:E174 13.95 1 Yes No 0 2 2 2
L:L:K13 R:R:E174 5.4 1 Yes No 0 2 1 2
R:R:M183 R:R:Y185 8.38 1 No Yes 5 5 2 1
R:R:E198 R:R:Y185 14.59 1 No Yes 4 5 1 1
L:L:?14 R:R:Y185 4.22 1 Yes Yes 0 5 0 1
R:R:E198 R:R:M272 4.06 1 No No 4 5 1 2
L:L:?14 R:R:E198 14.31 1 Yes No 0 4 0 1
L:L:?15 R:R:Y271 14.41 1 Yes No 0 4 1 2
L:L:?15 R:R:F291 24.18 1 Yes Yes 0 4 1 2
L:L:?17 R:R:F291 8.19 1 Yes Yes 0 4 2 2
L:L:E10 L:L:K13 21.6 1 Yes Yes 0 0 2 1
L:L:?14 L:L:K13 6.35 1 Yes Yes 0 0 0 1
L:L:?14 L:L:?15 18.84 1 Yes Yes 0 0 0 1
L:L:?15 L:L:P16 15.52 1 Yes Yes 0 0 1 2
L:L:?15 L:L:?17 7.7 1 Yes Yes 0 0 1 2
L:L:?17 L:L:P16 5.52 1 Yes Yes 0 0 2 2
R:R:E194 R:R:Y185 3.37 0 No Yes 6 5 2 1
R:R:L201 R:R:Y185 2.34 0 No Yes 4 5 2 1
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.49
Average Nodes In Shell20.00
Average Hubs In Shell10.00
Average Links In Shell26.00
Average Links Mediated by Hubs In Shell24.00
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 Links5.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.49
Average Nodes In Shell20.00
Average Hubs In Shell10.00
Average Links In Shell26.00
Average Links Mediated by Hubs In Shell24.00

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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 🔍)