CodeSGG
Name[(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid
Synonyms
Identifier[(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid
FormulaC18 H22 Cl2 N O3 P
Molecular Weight402.252
SMILESC[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(Cc2ccccc2)O)O
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
R:R:G180 R:R:G181 2.11 0 No No 3 5 2 1
L:L:?906 R:R:G181 2.72 2 Yes No 0 5 0 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
L:L:?906 R:R:W182 19.04 2 Yes No 0 6 0 1
R:R:G184 R:R:G463 2.11 0 No No 5 4 2 2
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
L:L:?906 R:R:S247 8.37 2 Yes Yes 0 9 0 1
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
L:L:?906 R:R:S270 7.17 2 Yes No 0 7 0 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
L:L:?906 R:R:H287 9.21 2 Yes Yes 0 7 0 1
R:R:L469 R:R:P288 1.64 2 Yes Yes 6 6 2 2
R:R:Q314 R:R:Y367 6.76 2 No Yes 8 7 2 1
R:R:E370 R:R:Q314 15.29 2 Yes No 5 8 2 2
R:R:F319 R:R:Y367 5.16 0 No Yes 7 7 2 1
R:R:E370 R:R:Y367 5.61 2 Yes Yes 5 7 2 1
R:R:W395 R:R:Y367 3.86 2 Yes Yes 5 7 1 1
L:L:?906 R:R:Y367 3.73 2 Yes Yes 0 7 0 1
R:R:I393 R:R:W395 4.7 2 No Yes 5 5 2 1
R:R:I393 R:R:Y396 3.63 2 No Yes 5 5 2 2
R:R:W395 R:R:Y396 4.82 2 Yes Yes 5 5 1 2
L:L:?906 R:R:W395 17.23 2 Yes Yes 0 5 0 1
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
L:L:?906 R:R:E466 6.33 2 Yes Yes 0 5 0 1
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 Shell12.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell29.00
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
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
L:L:?1024 R:R:W182 18.13 1 Yes Yes 0 6 0 1
R:R:S247 R:R:S248 3.26 1 No Yes 9 5 1 2
R:R:E317 R:R:S247 7.19 1 No No 6 9 2 1
L:L:?1024 R:R:S247 7.17 1 Yes No 0 9 0 1
R:R:E317 R:R:S248 5.75 1 No Yes 6 5 2 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
L:L:?1024 R:R:S270 8.37 1 Yes No 0 7 0 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
L:L:?1024 R:R:H287 14.33 1 Yes Yes 0 7 0 1
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:Q314 R:R:T316 7.09 1 Yes No 8 5 2 2
R:R:Q314 R:R:Y367 9.02 1 Yes Yes 8 7 2 1
R:R:F319 R:R:T316 12.97 1 No No 7 5 2 2
R:R:T316 R:R:Y367 9.99 1 No Yes 5 7 2 1
R:R:F319 R:R:Y367 10.32 1 No Yes 7 7 2 1
L:L:?1024 R:R:Y367 6.53 1 Yes Yes 0 7 0 1
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
L:L:?1024 R:R:W395 20.85 1 Yes Yes 0 5 0 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
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: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 Hub6.00
Average Interaction Strength10.56
Average Nodes In Shell26.00
Average Hubs In Shell13.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell34.00
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
S:S:G184 S:S:W182 8.44 0 No Yes 5 6 2 1
S:S:E466 S:S:W182 16.36 2 Yes Yes 5 6 1 1
M:M:?1024 S:S:W182 23.57 2 Yes Yes 0 6 0 1
S:S:E317 S:S:S247 7.19 0 No No 6 9 2 1
M:M:?1024 S:S:S247 8.37 2 Yes No 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 5.58 2 Yes No 7 7 1 1
M:M:?1024 S:S:S270 11.95 2 Yes No 0 7 0 1
S:S:H287 S:S:P288 6.1 2 Yes Yes 7 6 1 2
S:S:H287 S:S:M429 3.94 2 Yes Yes 7 4 1 2
S:S:E466 S:S:H287 3.69 2 Yes Yes 5 7 1 1
S:S:H287 S:S:L469 5.14 2 Yes No 7 6 1 2
M:M:?1024 S:S:H287 14.33 2 Yes Yes 0 7 0 1
S:S:I427 S:S:P288 3.39 2 Yes Yes 5 6 2 2
S:S:H293 S:S:W395 3.17 2 Yes Yes 5 5 2 1
S:S:H293 S:S:I427 6.63 2 Yes Yes 5 5 2 2
S:S:Q314 S:S:T316 7.09 2 Yes No 8 5 2 2
S:S:F319 S:S:Q314 3.51 2 Yes Yes 7 8 2 2
S:S:Q314 S:S:Y367 13.53 2 Yes Yes 8 7 2 1
S:S:F319 S:S:T316 15.56 2 Yes No 7 5 2 2
S:S:T316 S:S:Y367 9.99 2 No Yes 5 7 2 1
S:S:F319 S:S:Y367 12.38 2 Yes Yes 7 7 2 1
M:M:?1024 S:S:Y367 8.4 2 Yes Yes 0 7 0 1
S:S:I393 S:S:W395 3.52 0 No Yes 5 5 2 1
S:S:E426 S:S:W395 9.81 2 Yes Yes 6 5 2 1
S:S:I427 S:S:W395 4.7 2 Yes Yes 5 5 2 1
S:S:M429 S:S:W395 5.82 2 Yes Yes 4 5 2 1
S:S:Q465 S:S:W395 7.67 0 No Yes 4 5 2 1
M:M:?1024 S:S:W395 18.13 2 Yes Yes 0 5 0 1
S:S:E466 S:S:M429 4.06 2 Yes Yes 5 4 1 2
S:S:L469 S:S:M429 8.48 2 No Yes 6 4 2 2
S:S:E466 S:S:Q465 12.74 2 Yes No 5 4 1 2
M:M:?1024 S:S:E466 12.66 2 Yes Yes 0 5 0 1
S:S:G463 S:S:W182 2.81 0 No Yes 4 6 2 1
M:M:?1024 S:S:G181 2.72 2 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 Hub5.00
Average Interaction Strength12.52
Average Nodes In Shell25.00
Average Hubs In Shell13.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell34.00
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 Hub5.33
Average Interaction Strength10.77
Average Nodes In Shell25.33
Average Hubs In Shell12.67
Average Links In Shell35.33
Average Links Mediated by Hubs In Shell32.33

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 🔍)