CodeDI8
Name(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Synonyms
Identifier
FormulaC10 H11 N O2
Molecular Weight177.2
SMILES
PubChem7061096
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:?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:?1 R:R:D128 14.66 1 Yes No 0 5 1 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:K214 6.53 1 Yes Yes 0 5 1 1
L:L:?1 R:R:V217 5.75 1 Yes No 0 5 1 2
L:L:?1 R:R:I277 5.51 1 Yes No 0 5 1 2
L:L:?1 R:R:V281 3.45 1 Yes No 0 6 1 1
L:L:?1 R:R:I304 5.51 1 Yes Yes 0 5 1 1
L:L:?1 R:R:Y308 4.52 1 Yes Yes 0 7 1 2
L:L:?2 L:L:F3 14.64 1 Yes Yes 0 0 0 1
L:L:?2 R:R:K214 4.84 1 Yes Yes 0 5 0 1
L:L:?2 R:R:V281 14.07 1 Yes No 0 6 0 1
L:L:?2 R:R:W284 7.82 1 Yes No 0 4 0 1
L:L:?2 R:R:L300 3.57 1 Yes Yes 0 5 0 1
L:L:?2 R:R:I304 3.68 1 Yes Yes 0 5 0 1
L:L:F3 R:R:L125 14.61 1 Yes Yes 0 5 1 2
L:L:F3 R:R:D128 8.36 1 Yes No 0 5 1 2
R:R:D128 R:R:Y308 9.2 1 No Yes 5 7 2 2
R:R:M132 R:R:Y129 3.59 1 No Yes 8 5 2 2
R:R:D210 R:R:K214 4.15 0 No Yes 4 5 2 1
R:R:K214 R:R:T285 7.51 1 Yes No 5 4 1 2
R:R:I277 R:R:I304 5.89 1 No Yes 5 5 2 1
R:R:F280 R:R:L300 10.96 0 No Yes 5 5 2 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
R:R:I304 R:R:L300 4.28 1 Yes Yes 5 5 1 1
L:L:?1 R:R:H278 2.98 1 Yes No 0 7 1 2
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub5.00
Average Interaction Strength13.10
Average Nodes In Shell20.00
Average Hubs In Shell9.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell28.00
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:?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:?1 R:R:D128 10.47 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
L:L:?1 R:R:V281 6.9 1 Yes No 0 6 1 1
L:L:?1 R:R:I304 6.61 1 Yes No 0 5 1 1
L:L:?2 L:L:F3 12.55 1 Yes Yes 0 0 0 1
L:L:?2 R:R:V281 15.35 1 Yes No 0 6 0 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:?2 R:R:I304 3.68 1 Yes No 0 5 0 1
L:L:F3 R:R:L125 7.31 1 Yes No 0 5 1 2
L:L:F3 R:R:D128 9.55 1 Yes No 0 5 1 2
R:R:F280 R:R:L300 12.18 0 Yes No 5 5 2 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
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub2.00
Average Interaction Strength13.82
Average Nodes In Shell16.00
Average Hubs In Shell4.00
Average Links In Shell20.00
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 Links6.50
Average Number Of Links With An Hub3.50
Average Interaction Strength13.46
Average Nodes In Shell18.00
Average Hubs In Shell6.50
Average Links In Shell24.50
Average Links Mediated by Hubs In Shell23.00

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 🔍)