CodeSGG
Name[(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid
Synonyms
Identifier
FormulaC18 H22 Cl2 N O3 P
Molecular Weight402.252
SMILES
PubChem5311042
Formal Charge0
Total Atoms47
Total Chiral Atoms2
Total Bonds48
Total Aromatic Bonds12
Networks2
 missing image

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
6W2X C Aminoacid GABAB GABAB1; GABAB2 Homo Sapiens PubChem 5311042 PubChem 23727970 - 3.6 2020-07-01 10.1038/s41586-020-2469-4

A 2D representation of the interactions of SGG in 6W2X
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:?906 R:R:G181 2.72 2 Yes No 0 5 0 1
L:L:?906 R:R:W182 19.04 2 Yes No 0 6 0 1
L:L:?906 R:R:S247 8.37 2 Yes Yes 0 9 0 1
L:L:?906 R:R:S270 7.17 2 Yes No 0 7 0 1
L:L:?906 R:R:H287 9.21 2 Yes Yes 0 7 0 1
L:L:?906 R:R:Y367 3.73 2 Yes Yes 0 7 0 1
L:L:?906 R:R:W395 17.23 2 Yes Yes 0 5 0 1
L:L:?906 R:R:E466 6.33 2 Yes Yes 0 5 0 1
R:R:G180 R:R:G181 2.11 0 No No 3 5 2 1
R:R:G184 R:R:W182 8.44 0 No No 5 6 2 1
R:R:E466 R:R:W182 10.9 2 Yes No 5 6 1 1
R:R:G184 R:R:G463 2.11 0 No No 5 4 2 2
R:R:C188 R:R:E466 1.52 0 Yes Yes 5 5 2 1
R:R:S247 R:R:S248 1.63 0 Yes No 9 5 1 2
R:R:S247 R:R:S269 1.63 0 Yes Yes 9 8 1 2
R:R:S247 R:R:S271 1.63 0 Yes Yes 9 9 1 2
R:R:G268 R:R:H287 3.18 0 No Yes 7 7 2 1
R:R:H287 R:R:S270 5.58 2 Yes No 7 7 1 1
R:R:H287 R:R:P288 4.58 2 Yes Yes 7 6 1 2
R:R:H287 R:R:L469 3.86 2 Yes Yes 7 6 1 2
R:R:L469 R:R:P288 1.64 2 Yes Yes 6 6 2 2
R:R:Q314 R:R:Y367 6.76 2 Yes Yes 8 7 2 1
R:R:F319 R:R:Y367 5.16 0 No Yes 7 7 2 1
R:R:W395 R:R:Y367 3.86 2 Yes Yes 5 7 1 1
R:R:I393 R:R:W395 4.7 2 Yes Yes 5 5 2 1
R:R:I393 R:R:Y396 3.63 2 Yes Yes 5 5 2 2
R:R:W395 R:R:Y396 4.82 2 Yes Yes 5 5 1 2
R:R:E466 R:R:M429 2.71 2 Yes No 5 4 1 2
R:R:L469 R:R:M429 4.24 2 Yes No 6 4 2 2
R:R:E466 R:R:G463 1.64 2 Yes No 5 4 1 2
R:R:E466 R:R:Q465 6.37 2 Yes No 5 4 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.22
Average Nodes In Shell25.00
Average Hubs In Shell14.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell28.00
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
6W2Y C Aminoacid GABAB GABAB1; GABAB1 Homo Sapiens PubChem 5311042 PubChem 23727970 - 3.2 2020-07-01 10.1038/s41586-020-2469-4

A 2D representation of the interactions of SGG in 6W2Y
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:?1024 R:R:W182 18.13 1 Yes Yes 0 6 0 1
L:L:?1024 R:R:S247 7.17 1 Yes No 0 9 0 1
L:L:?1024 R:R:S270 8.37 1 Yes No 0 7 0 1
L:L:?1024 R:R:H287 14.33 1 Yes Yes 0 7 0 1
L:L:?1024 R:R:Y367 16.8 1 Yes No 0 7 0 1
L:L:?1024 R:R:W395 20.85 1 Yes Yes 0 5 0 1
L:L:?1024 R:R:Q465 4.24 1 Yes Yes 0 4 0 1
L:L:?1024 R:R:E466 12.66 1 Yes Yes 0 5 0 1
R:R:G184 R:R:W182 9.85 0 No Yes 5 6 2 1
R:R:E466 R:R:W182 15.27 1 Yes Yes 5 6 1 1
R:R:S247 R:R:S248 3.26 0 No No 9 5 1 2
R:R:G268 R:R:H287 4.77 0 No Yes 7 7 2 1
R:R:H287 R:R:S270 8.37 1 Yes No 7 7 1 1
R:R:H287 R:R:P288 6.1 1 Yes No 7 6 1 2
R:R:H287 R:R:M429 3.94 1 Yes Yes 7 4 1 2
R:R:E466 R:R:H287 3.69 1 Yes Yes 5 7 1 1
R:R:H287 R:R:L469 5.14 1 Yes Yes 7 6 1 2
R:R:I427 R:R:P288 3.39 1 No No 5 6 2 2
R:R:H293 R:R:W395 5.29 1 Yes Yes 5 5 2 1
R:R:H293 R:R:I427 6.63 1 Yes No 5 5 2 2
R:R:I393 R:R:W395 4.7 0 No Yes 5 5 2 1
R:R:E426 R:R:W395 4.36 1 Yes Yes 6 5 2 1
R:R:I427 R:R:W395 5.87 1 No Yes 5 5 2 1
R:R:M429 R:R:W395 3.49 1 Yes Yes 4 5 2 1
R:R:Q465 R:R:W395 6.57 1 Yes Yes 4 5 1 1
R:R:M429 R:R:Q465 5.44 1 Yes Yes 4 4 2 1
R:R:L469 R:R:M429 8.48 1 Yes Yes 6 4 2 2
R:R:E466 R:R:Q465 12.74 1 Yes Yes 5 4 1 1
R:R:G463 R:R:W182 2.81 0 No Yes 4 6 2 1
L:L:?1024 R:R:G181 2.72 1 Yes No 0 5 0 1
R:R:G180 R:R:G181 2.11 0 No No 3 5 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength11.70
Average Nodes In Shell22.00
Average Hubs In Shell10.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell28.00
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 SGG in 6W2Y
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
M:M:?1024 S:S:W182 23.57 5 Yes Yes 0 6 0 1
M:M:?1024 S:S:S247 8.37 5 Yes No 0 9 0 1
M:M:?1024 S:S:S270 11.95 5 Yes No 0 7 0 1
M:M:?1024 S:S:H287 14.33 5 Yes Yes 0 7 0 1
M:M:?1024 S:S:Y367 5.6 5 Yes No 0 7 0 1
M:M:?1024 S:S:W395 18.13 5 Yes Yes 0 5 0 1
M:M:?1024 S:S:E466 12.66 5 Yes Yes 0 5 0 1
S:S:G184 S:S:W182 8.44 0 No Yes 5 6 2 1
S:S:E466 S:S:W182 16.36 5 Yes Yes 5 6 1 1
S:S:G268 S:S:H287 4.77 0 No Yes 7 7 2 1
S:S:H287 S:S:S270 5.58 5 Yes No 7 7 1 1
S:S:H287 S:S:P288 6.1 5 Yes Yes 7 6 1 2
S:S:H287 S:S:M429 3.94 5 Yes Yes 7 4 1 2
S:S:E466 S:S:H287 3.69 5 Yes Yes 5 7 1 1
S:S:H287 S:S:L469 5.14 5 Yes No 7 6 1 2
S:S:I427 S:S:P288 3.39 5 Yes Yes 5 6 2 2
S:S:Q314 S:S:Y367 3.38 11 Yes No 8 7 2 1
S:S:E368 S:S:Y367 17.96 0 No No 7 7 2 1
S:S:I393 S:S:W395 3.52 0 No Yes 5 5 2 1
S:S:E426 S:S:W395 9.81 8 Yes Yes 6 5 2 1
S:S:I427 S:S:W395 4.7 5 Yes Yes 5 5 2 1
S:S:M429 S:S:W395 5.82 5 Yes Yes 4 5 2 1
S:S:Q465 S:S:W395 7.67 0 No Yes 4 5 2 1
S:S:E466 S:S:M429 4.06 5 Yes Yes 5 4 1 2
S:S:L469 S:S:M429 8.48 5 No Yes 6 4 2 2
S:S:E466 S:S:Q465 12.74 5 Yes No 5 4 1 2
S:S:G463 S:S:W182 2.81 0 No Yes 4 6 2 1
M:M:?1024 S:S:G181 2.72 5 Yes No 0 5 0 1
S:S:G180 S:S:G181 2.11 0 No No 3 5 2 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub4.00
Average Interaction Strength12.17
Average Nodes In Shell22.00
Average Hubs In Shell10.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell27.00
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 Links8.33
Average Number Of Links With An Hub4.67
Average Interaction Strength11.03
Average Nodes In Shell23.00
Average Hubs In Shell11.33
Average Links In Shell30.33
Average Links Mediated by Hubs In Shell27.67

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 🔍)