Code9DK
Name3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid
Synonyms
Identifier3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid
FormulaC10 H15 N3 O3
Molecular Weight225.244
SMILESCC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O
PubChem82821116
Formal Charge0
Total Atoms31
Total Chiral Atoms0
Total Bonds31
Total Aromatic Bonds5
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
5NX2 B1 Peptide Glucagon GLP-1 Homo sapiens GLP-1 (Truncated) - - 3.7 2017-06-14 10.1038/nature22800

A 2D representation of the interactions of 9DK in 5NX2
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:V194 R:R:Y148 3.79 1 Yes Yes 7 7 2 2
R:R:K197 R:R:Y148 3.58 1 Yes Yes 6 7 2 2
R:R:L388 R:R:Y148 8.21 1 No Yes 7 7 1 2
L:L:?5 R:R:Y148 8.29 1 Yes Yes 0 7 2 2
R:R:R190 R:R:Y152 10.29 1 Yes Yes 8 7 2 2
R:R:V194 R:R:Y152 7.57 1 Yes Yes 7 7 2 2
L:L:?2 R:R:Y152 7.71 1 Yes Yes 0 7 1 2
R:R:R190 R:R:V237 13.08 1 Yes No 8 6 2 2
R:R:R190 R:R:Y241 12.35 1 Yes Yes 8 8 2 2
L:L:?2 R:R:R190 9.98 1 Yes Yes 0 8 1 2
L:L:?2 R:R:V194 6.12 1 Yes Yes 0 7 1 2
L:L:?2 R:R:K197 3.48 1 Yes Yes 0 6 1 2
L:L:?5 R:R:K197 5.54 1 Yes Yes 0 6 2 2
L:L:T6 R:R:K197 4.5 1 No Yes 0 6 2 2
L:L:?2 R:R:V237 3.67 1 Yes No 0 6 1 2
R:R:A238 R:R:F280 4.16 1 No Yes 6 5 2 2
R:R:A238 R:R:I313 3.25 1 No Yes 6 7 2 1
R:R:I313 R:R:Y241 7.25 1 Yes Yes 7 8 1 2
R:R:F280 R:R:I313 3.77 1 Yes Yes 5 7 2 1
L:L:T4 R:R:W306 6.06 0 No Yes 0 6 1 2
L:L:?1 R:R:I313 4.15 1 Yes Yes 0 7 0 1
R:R:E364 R:R:E387 3.81 0 No Yes 8 8 2 1
R:R:E387 R:R:V365 4.28 1 Yes No 8 6 1 2
R:R:A368 R:R:K383 3.21 0 No Yes 6 7 2 1
R:R:E387 R:R:K383 9.45 1 Yes Yes 8 7 1 1
L:L:?1 R:R:K383 4.1 1 Yes Yes 0 7 0 1
L:L:?1 R:R:E387 15.4 1 Yes Yes 0 8 0 1
L:L:?1 R:R:L388 4.02 1 Yes No 0 7 0 1
L:L:?2 R:R:L388 3.41 1 Yes No 0 7 1 1
L:L:?1 L:L:?2 30.85 1 Yes Yes 0 0 0 1
L:L:?1 L:L:T4 17.13 1 Yes No 0 0 0 1
L:L:?2 L:L:G3 7.03 1 Yes No 0 0 1 2
L:L:?2 L:L:?5 12.51 1 Yes Yes 0 0 1 2
L:L:?2 L:L:T6 6.06 1 Yes No 0 0 1 2
L:L:?5 L:L:T4 5.79 1 Yes No 0 0 2 1
L:L:?5 L:L:T6 4.63 1 Yes No 0 0 2 2
R:R:K383 R:R:M371 2.88 1 Yes Yes 7 7 1 2
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub4.00
Average Interaction Strength12.61
Average Nodes In Shell24.00
Average Hubs In Shell15.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell37.00
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 Links6.00
Average Number Of Links With An Hub4.00
Average Interaction Strength12.61
Average Nodes In Shell24.00
Average Hubs In Shell15.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell37.00

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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 🔍)