Code9DW
Name(2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid
Synonyms
Identifier(2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid
FormulaC18 H21 N O3
Molecular Weight299.364
SMILESCCc1cc(ccc1c2ccc(cc2)C[C@@H](C(=O)O)N)OC
PubChem67243038
Formal Charge0
Total Atoms43
Total Chiral Atoms1
Total Bonds44
Total Aromatic Bonds12
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 9DW 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
L:L:?10 R:R:S31 7.33 1 Yes No 0 4 1 2
R:R:L32 R:R:Y205 8.21 1 No Yes 4 3 2 1
L:L:?10 R:R:L32 11.27 1 Yes No 0 4 1 2
L:L:?10 R:R:W33 3.71 1 Yes Yes 0 3 1 2
R:R:P137 R:R:S136 5.34 1 No No 3 1 1 2
R:R:P137 R:R:Y205 19.47 1 No Yes 3 3 1 1
L:L:?9 R:R:P137 14.82 1 Yes No 0 3 0 1
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 1 1
L:L:?9 R:R:L141 4.8 1 Yes No 0 5 0 1
L:L:?9 R:R:L142 6.72 1 Yes No 0 3 0 1
R:R:Y145 R:R:Y148 4.96 1 Yes Yes 5 7 1 2
R:R:T149 R:R:Y145 8.74 1 No Yes 7 5 2 1
R:R:D198 R:R:Y145 5.75 1 Yes Yes 7 5 2 1
L:L:?9 R:R:Y145 3.25 1 Yes Yes 0 5 0 1
R:R:T149 R:R:Y148 3.75 1 No Yes 7 7 2 2
R:R:K197 R:R:Y148 3.58 1 Yes Yes 6 7 2 2
R:R:D198 R:R:Y148 12.64 1 Yes Yes 7 7 2 2
L:L:?5 R:R:Y148 8.29 1 Yes Yes 0 7 1 2
R:R:D198 R:R:K197 12.44 1 Yes Yes 7 6 2 2
R:R:K197 R:R:L201 5.64 1 Yes No 6 7 2 1
L:L:?2 R:R:K197 3.48 1 Yes Yes 0 6 2 2
L:L:?5 R:R:K197 5.54 1 Yes Yes 0 6 1 2
L:L:T6 R:R:K197 4.5 1 No Yes 0 6 2 2
R:R:F230 R:R:L201 4.87 0 Yes No 5 7 2 1
L:L:?9 R:R:L201 8.65 1 Yes No 0 7 0 1
L:L:?9 R:R:K202 10.76 1 Yes No 0 4 0 1
L:L:?10 R:R:M204 3.45 1 Yes No 0 3 1 2
L:L:?9 R:R:Y205 8.95 1 Yes Yes 0 3 0 1
L:L:?10 R:R:Y205 8.59 1 Yes Yes 0 3 1 1
L:L:?10 R:R:L217 3.38 1 Yes No 0 4 1 2
L:L:?10 R:R:Q221 4.33 1 Yes Yes 0 4 1 2
L:L:?10 R:R:C296 3.88 1 Yes No 0 9 1 2
L:L:?2 L:L:?5 12.51 1 Yes Yes 0 0 2 1
L:L:?2 L:L:T6 6.06 1 Yes No 0 0 2 2
L:L:?5 L:L:T4 5.79 1 Yes No 0 0 1 2
L:L:?5 L:L:T6 4.63 1 Yes No 0 0 1 2
L:L:?5 L:L:D8 4.27 1 Yes No 0 0 1 2
L:L:?5 L:L:?9 9.81 1 Yes Yes 0 0 1 0
L:L:?10 L:L:?9 16.42 1 Yes Yes 0 0 1 0
R:R:I146 R:R:Y145 1.21 0 No Yes 4 5 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.35
Average Nodes In Shell29.00
Average Hubs In Shell12.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00
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 Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.35
Average Nodes In Shell29.00
Average Hubs In Shell12.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00

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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 🔍)