Code9DT
Name(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid
Synonyms
Identifier(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid
FormulaC10 H12 F N O2
Molecular Weight197.206
SMILESC[C@](Cc1ccccc1F)(C(=O)O)N
PubChem14605998
Formal Charge0
Total Atoms26
Total Chiral Atoms1
Total Bonds26
Total Aromatic Bonds6
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 9DT 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:P137 R:R:Y205 19.47 1 No Yes 3 3 2 2
L:L:?9 R:R:P137 14.82 1 Yes No 0 3 1 2
R:R:L141 R:R:Q140 6.65 1 No No 5 4 1 2
L:L:?5 R:R:L141 7.61 1 Yes No 0 5 0 1
L:L:?9 R:R:L141 4.8 1 Yes No 0 5 1 1
L:L:?9 R:R:L142 6.72 1 Yes No 0 3 1 2
R:R:Y145 R:R:Y148 4.96 1 Yes Yes 5 7 2 1
R:R:T149 R:R:Y145 8.74 1 No Yes 7 5 2 2
R:R:D198 R:R:Y145 5.75 1 Yes Yes 7 5 2 2
L:L:?9 R:R:Y145 3.25 1 Yes Yes 0 5 1 2
R:R:T149 R:R:Y148 3.75 1 No Yes 7 7 2 1
R:R:V194 R:R:Y148 3.79 1 Yes Yes 7 7 2 1
R:R:K197 R:R:Y148 3.58 1 Yes Yes 6 7 1 1
R:R:D198 R:R:Y148 12.64 1 Yes Yes 7 7 2 1
R:R:L388 R:R:Y148 8.21 1 No Yes 7 7 2 1
L:L:?5 R:R:Y148 8.29 1 Yes Yes 0 7 0 1
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
L:L:?2 R:R:R190 9.98 1 Yes Yes 0 8 1 2
R:R:D198 R:R:V194 4.38 1 Yes Yes 7 7 2 2
L:L:?2 R:R:V194 6.12 1 Yes Yes 0 7 1 2
R:R:D198 R:R:K197 12.44 1 Yes Yes 7 6 2 1
R:R:K197 R:R:L201 5.64 1 Yes No 6 7 1 2
R:R:K197 R:R:M233 12.96 1 Yes No 6 6 1 2
L:L:?2 R:R:K197 3.48 1 Yes Yes 0 6 1 1
L:L:?5 R:R:K197 5.54 1 Yes Yes 0 6 0 1
L:L:T6 R:R:K197 4.5 1 No Yes 0 6 1 1
L:L:?9 R:R:L201 8.65 1 Yes No 0 7 1 2
L:L:?9 R:R:K202 10.76 1 Yes No 0 4 1 2
L:L:?9 R:R:Y205 8.95 1 Yes Yes 0 3 1 2
L:L:?10 R:R:Y205 8.59 1 Yes Yes 0 3 2 2
L:L:?2 R:R:V237 3.67 1 Yes No 0 6 1 2
L:L:T4 R:R:W306 6.06 0 No Yes 0 6 1 2
L:L:D8 R:R:R380 11.91 0 No Yes 0 5 1 2
L:L:?1 R:R:L388 4.02 1 Yes No 0 7 2 2
L:L:?2 R:R:L388 3.41 1 Yes No 0 7 1 2
L:L:?1 L:L:?2 30.85 1 Yes Yes 0 0 2 1
L:L:?1 L:L:T4 17.13 1 Yes No 0 0 2 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 0
L:L:?2 L:L:T6 6.06 1 Yes No 0 0 1 1
L:L:?5 L:L:T4 5.79 1 Yes No 0 0 0 1
L:L:?5 L:L:T6 4.63 1 Yes No 0 0 0 1
L:L:?5 L:L:D8 4.27 1 Yes No 0 0 0 1
L:L:?5 L:L:?9 9.81 1 Yes Yes 0 0 0 1
L:L:?10 L:L:?9 16.42 1 Yes Yes 0 0 2 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub4.00
Average Interaction Strength7.31
Average Nodes In Shell29.00
Average Hubs In Shell15.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell47.00
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 Hub4.00
Average Interaction Strength7.31
Average Nodes In Shell29.00
Average Hubs In Shell15.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell47.00

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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 🔍)