CodeDI8
Name(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Synonyms
Identifier(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
FormulaC10 H11 N O2
Molecular Weight177.2
SMILESc1ccc2c(c1)C[C@H](NC2)C(=O)O
PubChem2733226
Formal Charge0
Total Atoms24
Total Chiral Atoms1
Total Bonds25
Total Aromatic Bonds6
Networks2
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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
4RWA A Peptide Opioid DOP Homo sapiens DIPP-NH2 - - 3.28 2015-01-14 10.1038/nsmb.2965

A 2D representation of the interactions of DI8 in 4RWA
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:F3 R:R:L125 14.61 1 Yes Yes 0 5 1 2
R:R:D128 R:R:Y308 9.2 1 No Yes 5 7 2 2
L:L:?1 R:R:D128 14.66 1 Yes No 0 5 1 2
L:L:F3 R:R:D128 8.36 1 Yes No 0 5 1 2
R:R:M132 R:R:Y129 3.59 1 No Yes 8 5 2 2
L:L:?1 R:R:Y129 11.76 1 Yes Yes 0 5 1 2
L:L:?1 R:R:M132 17.45 1 Yes No 0 8 1 2
L:L:?1 R:R:V217 5.75 1 Yes No 0 5 1 2
R:R:I277 R:R:I304 5.89 1 No Yes 5 5 2 1
L:L:?1 R:R:I277 5.51 1 Yes No 0 5 1 2
R:R:F280 R:R:L300 10.96 0 No Yes 5 5 2 1
L:L:?1 R:R:V281 3.45 1 Yes No 0 6 1 1
L:L:?2 R:R:V281 14.07 1 Yes No 0 6 0 1
R:R:R291 R:R:W284 16.99 0 No No 1 4 2 1
R:R:L300 R:R:W284 4.56 1 Yes No 5 4 1 1
L:L:?2 R:R:W284 7.82 1 Yes No 0 4 0 1
R:R:I304 R:R:L300 4.28 1 Yes Yes 5 5 1 1
L:L:?2 R:R:L300 3.57 1 Yes Yes 0 5 0 1
L:L:?1 R:R:I304 5.51 1 Yes Yes 0 5 1 1
L:L:?2 R:R:I304 3.68 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y308 4.52 1 Yes Yes 0 7 1 2
L:L:?1 L:L:?2 43.1 1 Yes Yes 0 0 1 0
L:L:?1 L:L:F3 3.76 1 Yes Yes 0 0 1 1
L:L:?2 L:L:F3 14.64 1 Yes Yes 0 0 0 1
L:L:?1 R:R:H278 2.98 1 Yes No 0 7 1 2
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub4.00
Average Interaction Strength14.48
Average Nodes In Shell17.00
Average Hubs In Shell8.00
Average Links In Shell25.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
4RWD A Peptide Opioid DOP Homo sapiens DIPP-NH2 Na - 2.7 2015-01-14 10.1038/nsmb.2965

A 2D representation of the interactions of DI8 in 4RWD
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:F3 R:R:L125 7.31 1 Yes No 0 5 1 2
L:L:?1 R:R:D128 10.47 1 Yes No 0 5 1 2
L:L:F3 R:R:D128 9.55 1 Yes No 0 5 1 2
L:L:?1 R:R:Y129 9.95 1 Yes No 0 5 1 2
L:L:?1 R:R:M132 16.36 1 Yes No 0 8 1 2
L:L:?1 R:R:V217 8.05 1 Yes No 0 5 1 2
L:L:?1 R:R:I277 6.61 1 Yes No 0 5 1 2
L:L:?1 R:R:H278 5.95 1 Yes No 0 7 1 2
R:R:F280 R:R:L300 12.18 0 Yes No 5 5 2 1
L:L:?1 R:R:V281 6.9 1 Yes No 0 6 1 1
L:L:?2 R:R:V281 15.35 1 Yes No 0 6 0 1
R:R:R291 R:R:W284 22.99 0 No No 1 4 2 1
R:R:L300 R:R:W284 4.56 1 No No 5 4 1 1
L:L:?2 R:R:W284 7.82 1 Yes No 0 4 0 1
L:L:?2 R:R:L300 5.94 1 Yes No 0 5 0 1
L:L:?1 R:R:I304 6.61 1 Yes No 0 5 1 2
L:L:?1 L:L:?2 37.6 1 Yes Yes 0 0 1 0
L:L:?1 L:L:F3 5.64 1 Yes Yes 0 0 1 1
L:L:?2 L:L:F3 12.55 1 Yes Yes 0 0 0 1
StatisticsValue
Average Number Of Links5.00
Average Number Of Links With An Hub2.00
Average Interaction Strength15.85
Average Nodes In Shell16.00
Average Hubs In Shell4.00
Average Links In Shell19.00
Average Links Mediated by Hubs In Shell17.00
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 Links5.50
Average Number Of Links With An Hub3.00
Average Interaction Strength15.17
Average Nodes In Shell16.50
Average Hubs In Shell6.00
Average Links In Shell22.00
Average Links Mediated by Hubs In Shell20.50

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 🔍)