CodeW9R
Name(1R,2S)-2-[[3,5-bis(chloranyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
Synonyms
Identifier
FormulaC14 H15 Cl2 N O3
Molecular Weight316.18
SMILES
PubChem888023
Formal Charge0
Total Atoms35
Total Chiral Atoms2
Total Bonds36
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
8WGB C Aminoacid Metabotropic Glutamate mGlu4; mGlu2 Homo Sapiens Glutammate VU0155041 Gi3/Beta1/Gamma2 3.7 2024-10-30 doi.org/10.1038/s41467-024-54744-7

A 2D representation of the interactions of W9R in 8WGB
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:L581 R:R:T819 4.42 0 No No 8 8 2 1
R:R:L659 R:R:T639 2.95 4 Yes No 8 7 1 2
R:R:M643 R:R:R655 18.61 4 No No 7 8 1 1
R:R:M643 R:R:T823 3.01 4 No No 7 7 1 2
R:R:M643 W:W:?1 8.29 4 No Yes 7 0 1 0
R:R:C652 R:R:P647 1.88 4 Yes Yes 9 9 2 2
R:R:P647 R:R:S725 3.56 4 Yes No 9 5 2 2
R:R:C746 R:R:P647 5.65 4 Yes Yes 9 9 1 2
R:R:C652 R:R:S725 5.16 4 Yes No 9 5 2 2
R:R:C652 R:R:C746 5.46 4 Yes Yes 9 9 2 1
R:R:C652 R:R:I748 3.27 4 Yes Yes 9 5 2 1
R:R:I748 R:R:R655 5.01 4 Yes No 5 8 1 1
R:R:R655 W:W:?1 74.27 4 No Yes 8 0 1 0
R:R:I714 R:R:R656 3.76 0 No Yes 6 8 2 1
R:R:D721 R:R:R656 9.53 4 Yes Yes 6 8 2 1
R:R:R656 R:R:S723 6.59 4 Yes No 8 8 1 2
R:R:I748 R:R:R656 8.77 4 Yes Yes 5 8 1 1
R:R:R656 R:R:S752 3.95 4 Yes No 8 6 1 2
R:R:R656 W:W:?1 4.07 4 Yes Yes 8 0 1 0
R:R:G660 R:R:L659 3.42 4 No Yes 6 8 2 1
R:R:L659 R:R:L822 2.77 4 Yes Yes 8 8 1 1
R:R:L659 W:W:?1 5.8 4 Yes Yes 8 0 1 0
R:R:D721 R:R:S723 2.94 4 Yes No 6 8 2 2
R:R:C746 R:R:S725 3.44 4 Yes No 9 5 1 2
R:R:D728 R:R:K745 4.15 0 No No 6 7 2 1
R:R:D747 R:R:K745 4.15 0 No No 5 7 2 1
R:R:K745 W:W:?1 4.72 0 No Yes 7 0 1 0
R:R:C746 R:R:I748 3.27 4 Yes Yes 9 5 1 1
R:R:C746 W:W:?1 2.66 4 Yes Yes 9 0 1 0
R:R:I748 W:W:?1 13.15 4 Yes Yes 5 0 1 0
R:R:D750 R:R:F805 2.39 4 No Yes 3 8 1 1
R:R:D750 W:W:?1 2.27 4 No Yes 3 0 1 0
R:R:L753 R:R:L757 2.77 4 Yes Yes 7 8 1 2
R:R:F801 R:R:L753 2.44 4 Yes Yes 9 7 2 1
R:R:F805 R:R:L753 2.44 4 Yes Yes 8 7 1 1
R:R:L753 R:R:L822 2.77 4 Yes Yes 7 8 1 1
R:R:L753 W:W:?1 11.59 4 Yes Yes 7 0 1 0
R:R:L757 R:R:W798 7.97 4 Yes Yes 8 9 2 2
R:R:F801 R:R:L757 2.44 4 Yes Yes 9 8 2 2
R:R:F801 R:R:W798 12.03 4 Yes Yes 9 9 2 2
R:R:L822 R:R:W798 2.28 4 Yes Yes 8 9 1 2
R:R:F801 R:R:F805 11.79 4 Yes Yes 9 8 2 1
R:R:F801 R:R:L822 3.65 4 Yes Yes 9 8 2 1
R:R:F805 R:R:F806 8.57 4 Yes No 8 6 1 2
R:R:F805 R:R:Q818 11.71 4 Yes No 8 6 1 2
R:R:F805 W:W:?1 6.12 4 Yes Yes 8 0 1 0
R:R:T819 W:W:?1 6.17 0 No Yes 8 0 1 0
R:R:L822 W:W:?1 6.96 4 Yes Yes 8 0 1 0
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength12.17
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell43.00
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 Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength13.14
Average Nodes In Shell29.00
Average Hubs In Shell10.50
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell34.00

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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 🔍)