CodeCWY
Name(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Synonyms
Identifier(1~{S},2~{S},4~{S},5~{R},6~{S})-2-azanyl-4-[(3-methoxyphenyl)carbonylamino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
FormulaC16 H18 N2 O6
Molecular Weight334.324
SMILESCOc1cccc(c1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N
PubChem60096231
Formal Charge0
Total Atoms42
Total Chiral Atoms5
Total Bonds44
Total Aromatic Bonds6
Networks1
 missing image

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
7WIH C Aminoacid Metabotropic glutamate mGlu3; mGlu3 Homo sapiens LY2794193 - - 3.68 2022-03-16 10.1038/s41422-022-00623-z

A 2D representation of the interactions of CWY in 7WIH
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:P46 R:R:S149 7.13 1 Yes Yes 6 5 2 1
R:R:P46 R:R:Y150 8.34 1 Yes Yes 6 4 2 1
R:R:E49 R:R:S100 8.62 1 No No 2 2 2 2
R:R:E49 R:R:Y150 3.37 1 No Yes 2 4 2 1
R:R:N61 R:R:R64 13.26 0 No Yes 4 5 2 1
R:R:R64 R:R:R68 5.33 1 Yes Yes 5 4 1 1
R:R:R64 R:R:Y150 9.26 1 Yes Yes 5 4 1 1
R:R:R64 R:R:S278 9.22 1 Yes No 5 3 1 2
R:R:Q306 R:R:R64 11.68 1 No Yes 5 5 2 1
L:L:?1 R:R:R64 4.25 1 Yes Yes 0 5 0 1
R:R:R68 R:R:S149 6.59 1 Yes Yes 4 5 1 1
R:R:K389 R:R:R68 7.43 1 Yes Yes 4 4 1 1
R:R:R68 R:R:V393 3.92 1 Yes No 4 6 1 2
L:L:?1 R:R:R68 7.79 1 Yes Yes 0 4 0 1
R:R:R101 R:R:S100 3.95 1 No No 3 2 1 2
R:R:S100 R:R:Y150 7.63 1 No Yes 2 4 2 1
R:R:R101 R:R:R277 4.26 1 No Yes 3 4 1 1
L:L:?1 R:R:R101 4.25 1 Yes No 0 3 0 1
R:R:S149 R:R:Y150 3.82 1 Yes Yes 5 4 1 1
R:R:S149 R:R:Y171 6.36 1 Yes No 5 6 1 2
L:L:?1 R:R:S149 3.5 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y150 15.04 1 Yes Yes 0 4 0 1
R:R:S151 R:R:Y222 5.09 0 No Yes 9 7 2 1
R:R:V393 R:R:Y171 7.57 0 No No 6 6 2 2
R:R:A172 R:R:K389 3.21 1 No Yes 5 4 1 1
L:L:?1 R:R:A172 4.59 1 Yes No 0 5 0 1
R:R:T174 R:R:V191 3.17 1 Yes Yes 8 7 1 2
R:R:D194 R:R:T174 10.12 1 Yes Yes 8 8 2 1
R:R:D301 R:R:T174 4.34 1 Yes Yes 8 8 1 1
L:L:?1 R:R:T174 3.44 1 Yes Yes 0 8 0 1
R:R:L325 R:R:V191 2.98 1 Yes Yes 5 7 2 2
R:R:F392 R:R:V191 5.24 1 Yes Yes 7 7 2 2
R:R:D194 R:R:Q197 10.44 1 Yes Yes 8 9 2 2
R:R:D194 R:R:Y222 6.9 1 Yes Yes 8 7 2 1
R:R:Q197 R:R:S300 8.66 1 Yes Yes 9 8 2 2
R:R:D301 R:R:Q197 10.44 1 Yes Yes 8 9 1 2
R:R:R277 R:R:S218 6.59 1 Yes No 4 5 1 2
R:R:G223 R:R:Y222 2.9 0 No Yes 7 7 2 1
R:R:S300 R:R:Y222 3.82 1 Yes Yes 8 7 2 1
R:R:D301 R:R:Y222 4.6 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Y222 8.2 1 Yes Yes 0 7 0 1
R:R:R249 R:R:R277 22.39 1 Yes Yes 3 4 2 1
R:R:D279 R:R:R249 5.96 1 Yes Yes 1 3 1 2
R:R:D280 R:R:R249 10.72 1 Yes Yes 4 3 2 2
R:R:D279 R:R:R277 5.96 1 Yes Yes 1 4 1 1
R:R:D280 R:R:R277 4.76 1 Yes Yes 4 4 2 1
L:L:?1 R:R:R277 21.25 1 Yes Yes 0 4 0 1
R:R:R282 R:R:S278 3.95 0 No No 2 3 2 2
R:R:Q306 R:R:S278 2.89 1 No No 5 3 2 2
R:R:D279 R:R:R282 3.57 1 Yes No 1 2 1 2
L:L:?1 R:R:D279 3.96 1 Yes Yes 0 1 0 1
R:R:D301 R:R:S300 5.89 1 Yes Yes 8 8 1 2
R:R:D301 R:R:E324 5.2 1 Yes Yes 8 6 1 2
R:R:D301 R:R:K389 5.53 1 Yes Yes 8 4 1 1
L:L:?1 R:R:D301 3.17 1 Yes Yes 0 8 0 1
R:R:E324 R:R:S388 11.5 1 Yes No 6 5 2 2
R:R:E324 R:R:K389 10.8 1 Yes Yes 6 4 2 1
R:R:K389 R:R:L325 5.64 1 Yes Yes 4 5 1 2
R:R:K389 R:R:S388 4.59 1 Yes No 4 5 1 2
R:R:F392 R:R:K389 3.72 1 Yes Yes 7 4 2 1
L:L:?1 R:R:K389 3.29 1 Yes Yes 0 4 0 1
L:L:?1 R:R:G302 1.99 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub10.00
Average Interaction Strength6.52
Average Nodes In Shell36.00
Average Hubs In Shell21.00
Average Links In Shell62.00
Average Links Mediated by Hubs In Shell57.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of CWY in 7WIH
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
S:S:P46 S:S:S149 7.13 2 Yes Yes 6 5 2 1
S:S:P46 S:S:Y150 8.34 2 Yes Yes 6 4 2 1
S:S:E49 S:S:S100 8.62 2 No No 2 2 2 2
S:S:E49 S:S:Y150 3.37 2 No Yes 2 4 2 1
S:S:N61 S:S:R64 13.26 0 No Yes 4 5 2 1
S:S:R64 S:S:R68 5.33 2 Yes Yes 5 4 1 1
S:S:R64 S:S:Y150 9.26 2 Yes Yes 5 4 1 1
S:S:R64 S:S:S278 9.22 2 Yes No 5 3 1 2
S:S:Q306 S:S:R64 11.68 2 No Yes 5 5 2 1
M:M:?1 S:S:R64 4.25 2 Yes Yes 0 5 0 1
S:S:R68 S:S:S149 6.59 2 Yes Yes 4 5 1 1
S:S:K389 S:S:R68 7.43 2 Yes Yes 4 4 1 1
S:S:R68 S:S:V393 3.92 2 Yes No 4 6 1 2
M:M:?1 S:S:R68 7.79 2 Yes Yes 0 4 0 1
S:S:R101 S:S:S100 3.95 2 No No 3 2 1 2
S:S:S100 S:S:Y150 7.63 2 No Yes 2 4 2 1
S:S:R101 S:S:R277 4.26 2 No Yes 3 4 1 1
M:M:?1 S:S:R101 4.25 2 Yes No 0 3 0 1
S:S:S149 S:S:Y150 3.82 2 Yes Yes 5 4 1 1
S:S:S149 S:S:Y171 6.36 2 Yes No 5 6 1 2
M:M:?1 S:S:S149 3.5 2 Yes Yes 0 5 0 1
M:M:?1 S:S:Y150 15.04 2 Yes Yes 0 4 0 1
S:S:S151 S:S:Y222 5.09 0 No Yes 9 7 2 1
S:S:V393 S:S:Y171 7.57 0 No No 6 6 2 2
S:S:A172 S:S:K389 3.21 2 No Yes 5 4 1 1
M:M:?1 S:S:A172 4.59 2 Yes No 0 5 0 1
S:S:T174 S:S:V191 3.17 2 Yes Yes 8 7 1 2
S:S:D194 S:S:T174 10.12 2 Yes Yes 8 8 2 1
S:S:D301 S:S:T174 4.34 2 Yes Yes 8 8 1 1
M:M:?1 S:S:T174 3.44 2 Yes Yes 0 8 0 1
S:S:L325 S:S:V191 2.98 2 Yes Yes 5 7 2 2
S:S:F392 S:S:V191 5.24 2 Yes Yes 7 7 2 2
S:S:D194 S:S:Q197 10.44 2 Yes Yes 8 9 2 2
S:S:D194 S:S:Y222 6.9 2 Yes Yes 8 7 2 1
S:S:Q197 S:S:S300 8.66 2 Yes Yes 9 8 2 2
S:S:D301 S:S:Q197 10.44 2 Yes Yes 8 9 1 2
S:S:R277 S:S:S218 6.59 2 Yes No 4 5 1 2
S:S:G223 S:S:Y222 2.9 0 No Yes 7 7 2 1
S:S:S300 S:S:Y222 3.82 2 Yes Yes 8 7 2 1
S:S:D301 S:S:Y222 4.6 2 Yes Yes 8 7 1 1
M:M:?1 S:S:Y222 8.2 2 Yes Yes 0 7 0 1
S:S:R249 S:S:R277 22.39 2 Yes Yes 3 4 2 1
S:S:D279 S:S:R249 5.96 2 Yes Yes 1 3 1 2
S:S:D280 S:S:R249 10.72 2 Yes Yes 4 3 2 2
S:S:D279 S:S:R277 5.96 2 Yes Yes 1 4 1 1
S:S:D280 S:S:R277 4.76 2 Yes Yes 4 4 2 1
M:M:?1 S:S:R277 21.25 2 Yes Yes 0 4 0 1
S:S:R282 S:S:S278 3.95 0 No No 2 3 2 2
S:S:Q306 S:S:S278 2.89 2 No No 5 3 2 2
S:S:D279 S:S:R282 3.57 2 Yes No 1 2 1 2
M:M:?1 S:S:D279 3.96 2 Yes Yes 0 1 0 1
S:S:D301 S:S:S300 5.89 2 Yes Yes 8 8 1 2
S:S:D301 S:S:E324 5.2 2 Yes Yes 8 6 1 2
S:S:D301 S:S:K389 5.53 2 Yes Yes 8 4 1 1
M:M:?1 S:S:D301 3.17 2 Yes Yes 0 8 0 1
S:S:E324 S:S:S388 11.5 2 Yes No 6 5 2 2
S:S:E324 S:S:K389 10.8 2 Yes Yes 6 4 2 1
S:S:K389 S:S:L325 5.64 2 Yes Yes 4 5 1 2
S:S:K389 S:S:S388 4.59 2 Yes No 4 5 1 2
S:S:F392 S:S:K389 3.72 2 Yes Yes 7 4 2 1
M:M:?1 S:S:K389 3.29 2 Yes Yes 0 4 0 1
M:M:?1 S:S:G302 1.99 2 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub10.00
Average Interaction Strength6.52
Average Nodes In Shell36.00
Average Hubs In Shell21.00
Average Links In Shell62.00
Average Links Mediated by Hubs In Shell57.00
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 Links13.00
Average Number Of Links With An Hub10.00
Average Interaction Strength6.52
Average Nodes In Shell36.00
Average Hubs In Shell21.00
Average Links In Shell62.00
Average Links Mediated by Hubs In Shell57.00

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 🔍)