Code2C0
NameArbaclofen
Synonyms(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
Identifier
FormulaC10 H12 Cl N O2
Molecular Weight213.661
SMILES
PubChem44602
Formal Charge0
Total Atoms26
Total Chiral Atoms1
Total Bonds26
Total Aromatic Bonds6
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7C7Q C Aminoacid GABAB GABAB1; GABAB2 Homo Sapiens Baclofen BHFF - 3 2020-07-01 doi.org/10.1038/s41422-020-0350-5

A 2D representation of the interactions of 2C0 in 7C7Q
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:P177 R:R:W182 2.7 0 No Yes 7 6 2 1
R:R:G181 R:R:Y367 5.79 0 No No 5 7 2 1
R:R:P183 R:R:W182 4.05 0 No Yes 4 6 2 1
R:R:G184 R:R:W182 9.85 0 No Yes 5 6 2 1
R:R:G268 R:R:W182 2.81 0 No Yes 7 6 2 1
R:R:E466 R:R:W182 11.99 1 Yes Yes 5 6 1 1
L:L:?1 R:R:W182 17.25 1 Yes Yes 0 6 0 1
R:R:C220 R:R:C246 7.28 0 No No 8 7 2 1
R:R:S247 R:R:S269 4.89 1 Yes Yes 9 8 1 2
R:R:S247 R:R:S271 3.26 1 Yes Yes 9 9 1 2
R:R:S247 R:R:V318 6.46 1 Yes Yes 9 5 1 2
L:L:?1 R:R:S247 7.96 1 Yes Yes 0 9 0 1
R:R:G268 R:R:H287 4.77 0 No Yes 7 7 2 1
R:R:H287 R:R:S270 5.58 1 Yes No 7 7 1 1
R:R:A290 R:R:S270 3.42 1 No No 8 7 2 1
L:L:?1 R:R:S270 9.1 1 Yes No 0 7 0 1
R:R:S271 R:R:V318 4.85 1 Yes Yes 9 5 2 2
R:R:H287 R:R:P288 12.2 1 Yes Yes 7 6 1 2
R:R:H287 R:R:M429 7.88 1 Yes Yes 7 4 1 2
R:R:H287 R:R:L469 5.14 1 Yes Yes 7 6 1 2
L:L:?1 R:R:H287 8.76 1 Yes Yes 0 7 0 1
R:R:M429 R:R:P288 3.35 1 Yes Yes 4 6 2 2
R:R:Q314 R:R:T316 4.25 1 No No 8 5 2 2
R:R:F319 R:R:Q314 3.51 1 Yes No 7 8 1 2
R:R:T316 R:R:V318 3.17 1 No Yes 5 5 2 2
R:R:F319 R:R:T316 5.19 1 Yes No 7 5 1 2
R:R:F319 R:R:V318 9.18 1 Yes Yes 7 5 1 2
R:R:F319 R:R:L365 3.65 1 Yes Yes 7 6 1 2
R:R:F319 R:R:Y367 8.25 1 Yes No 7 7 1 1
L:L:?1 R:R:F319 3.69 1 Yes Yes 0 7 0 1
R:R:I393 R:R:L365 2.85 1 No Yes 5 6 1 2
L:L:?1 R:R:Y367 13.32 1 Yes No 0 7 0 1
R:R:E368 R:R:Y396 6.73 1 No Yes 7 5 2 1
R:R:E368 R:R:W400 6.54 1 No Yes 7 8 2 2
R:R:A371 R:R:Y396 4 1 No Yes 8 5 2 1
R:R:A371 R:R:W400 3.89 1 No Yes 8 8 2 2
R:R:I393 R:R:W395 4.7 1 No Yes 5 5 1 1
L:L:?1 R:R:I393 5.4 1 Yes No 0 5 0 1
R:R:E426 R:R:W395 7.63 1 No Yes 6 5 2 1
R:R:M429 R:R:W395 6.98 1 Yes Yes 4 5 2 1
R:R:E466 R:R:W395 8.72 1 Yes Yes 5 5 1 1
L:L:?1 R:R:W395 12.94 1 Yes Yes 0 5 0 1
R:R:W400 R:R:Y396 11.58 1 Yes Yes 8 5 2 1
L:L:?1 R:R:Y396 2.66 1 Yes Yes 0 5 0 1
R:R:L469 R:R:M429 5.65 1 Yes Yes 6 4 2 2
R:R:E466 R:R:Q465 3.82 1 Yes No 5 4 1 2
R:R:E466 R:R:L469 2.65 1 Yes Yes 5 6 1 2
L:L:?1 R:R:E466 6.02 1 Yes Yes 0 5 0 1
L:L:?1 R:R:C246 2.4 1 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.14
Average Nodes In Shell33.00
Average Hubs In Shell16.00
Average Links In Shell49.00
Average Links Mediated by Hubs In Shell45.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7EB2 C Aminoacid GABAB GABAB2; GABAB1 Homo Sapiens Baclofen rac-BHFF Gi1/Beta1/Gamma2 3.5 2021-05-05 doi.org/10.1038/s41586-021-03507-1

A 2D representation of the interactions of 2C0 in 7EB2
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:G181 S:S:Y367 5.79 0 No No 5 7 2 1
S:S:P183 S:S:W182 4.05 0 No Yes 4 6 2 1
S:S:G184 S:S:W182 9.85 0 No Yes 5 6 2 1
S:S:G463 S:S:W182 4.22 0 No Yes 4 6 2 1
S:S:E466 S:S:W182 13.08 1 Yes Yes 5 6 1 1
M:M:?1001 S:S:W182 17.25 1 Yes Yes 0 6 0 1
S:S:C220 S:S:C246 7.28 0 No No 8 7 2 1
S:S:S247 S:S:S269 4.89 1 Yes Yes 9 8 1 2
S:S:S247 S:S:S271 3.26 1 Yes Yes 9 9 1 2
S:S:S247 S:S:V318 4.85 1 Yes Yes 9 5 1 2
M:M:?1001 S:S:S247 6.82 1 Yes Yes 0 9 0 1
S:S:G268 S:S:H287 4.77 0 No Yes 7 7 2 1
S:S:H287 S:S:S270 6.97 1 Yes No 7 7 1 1
S:S:A290 S:S:S270 3.42 1 No No 8 7 2 1
M:M:?1001 S:S:S270 7.96 1 Yes No 0 7 0 1
S:S:S271 S:S:V318 4.85 1 Yes Yes 9 5 2 2
S:S:H287 S:S:P288 10.68 1 Yes Yes 7 6 1 2
S:S:H287 S:S:W395 5.29 1 Yes Yes 7 5 1 1
S:S:H287 S:S:M429 5.25 1 Yes Yes 7 4 1 2
S:S:E466 S:S:H287 3.69 1 Yes Yes 5 7 1 1
S:S:H287 S:S:L469 5.14 1 Yes Yes 7 6 1 2
M:M:?1001 S:S:H287 5.84 1 Yes Yes 0 7 0 1
S:S:I427 S:S:P288 3.39 1 Yes Yes 5 6 2 2
S:S:M429 S:S:P288 6.71 1 Yes Yes 4 6 2 2
S:S:H293 S:S:W395 9.52 1 Yes Yes 5 5 2 1
S:S:H293 S:S:I427 3.98 1 Yes Yes 5 5 2 2
S:S:F319 S:S:V318 9.18 1 Yes Yes 7 5 2 2
S:S:F319 S:S:L365 3.65 1 Yes Yes 7 6 2 2
S:S:F319 S:S:Y367 8.25 1 Yes No 7 7 2 1
S:S:I393 S:S:L365 2.85 1 Yes Yes 5 6 1 2
M:M:?1001 S:S:Y367 11.54 1 Yes No 0 7 0 1
S:S:E368 S:S:Y396 7.86 1 Yes Yes 7 5 2 1
S:S:E368 S:S:W400 5.45 1 Yes Yes 7 8 2 2
S:S:A371 S:S:Y396 4 1 No Yes 8 5 2 1
S:S:A371 S:S:W400 3.89 1 No Yes 8 8 2 2
S:S:I393 S:S:W395 4.7 1 Yes Yes 5 5 1 1
S:S:I393 S:S:Y396 3.63 1 Yes Yes 5 5 1 1
M:M:?1001 S:S:I393 8.65 1 Yes Yes 0 5 0 1
S:S:I427 S:S:W395 3.52 1 Yes Yes 5 5 2 1
S:S:M429 S:S:W395 4.65 1 Yes Yes 4 5 2 1
S:S:E466 S:S:W395 5.45 1 Yes Yes 5 5 1 1
M:M:?1001 S:S:W395 12.94 1 Yes Yes 0 5 0 1
S:S:W400 S:S:Y396 10.61 1 Yes Yes 8 5 2 1
M:M:?1001 S:S:Y396 3.55 1 Yes Yes 0 5 0 1
S:S:I427 S:S:M429 7.29 1 Yes Yes 5 4 2 2
S:S:L469 S:S:M429 5.65 1 Yes Yes 6 4 2 2
M:M:?1001 S:S:E466 5.02 1 Yes Yes 0 5 0 1
M:M:?1001 S:S:C246 2.4 1 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.20
Average Nodes In Shell31.00
Average Hubs In Shell20.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell45.00
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 Links10.33
Average Number Of Links With An Hub6.67
Average Interaction Strength8.18
Average Nodes In Shell31.33
Average Hubs In Shell17.33
Average Links In Shell47.67
Average Links Mediated by Hubs In Shell44.33

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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 🔍)