CodeGXR
Name(8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Synonyms
Identifier(8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
FormulaC22 H29 Cl O5
Molecular Weight408.916
SMILESC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C
PubChem20469
Formal Charge0
Total Atoms57
Total Chiral Atoms8
Total Bonds60
Total Aromatic Bonds0
Networks1
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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
7D76 B2 Adhesion Adhesion ADGRG3 Homo sapiens Beclomethasone - Go/Beta1/Gamma2 3.1 2021-02-03 10.1038/s41586-020-03083-w

A 2D representation of the interactions of GXR in 7D76
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:F323 R:R:S272 5.28 1 Yes No 9 8 1 2
R:R:C276 R:R:N320 6.3 1 Yes No 7 7 2 2
R:R:C276 R:R:F323 2.79 1 Yes Yes 7 9 2 1
R:R:C276 R:R:N510 3.15 1 Yes Yes 7 9 2 1
R:R:N320 R:R:S279 8.94 1 No No 7 9 2 2
R:R:N510 R:R:S279 8.94 1 Yes No 9 9 1 2
R:R:F345 R:R:L319 2.44 1 Yes No 8 8 1 2
R:R:N320 R:R:N510 8.17 1 No Yes 7 9 2 1
R:R:A322 R:R:F345 2.77 0 No Yes 5 8 2 1
R:R:F323 R:R:V327 7.87 1 Yes No 9 5 1 2
R:R:F323 R:R:F345 3.22 1 Yes Yes 9 8 1 1
L:L:?4 R:R:F323 15.91 1 Yes Yes 0 9 0 1
R:R:F345 R:R:N326 7.25 1 Yes No 8 6 1 2
R:R:F345 R:R:W421 7.02 1 Yes Yes 8 8 1 1
L:L:?4 R:R:F345 2.65 1 Yes Yes 0 8 0 1
R:R:H346 R:R:W421 7.41 1 Yes Yes 9 8 2 1
R:R:F422 R:R:H346 12.44 1 Yes Yes 7 9 2 2
R:R:H346 R:R:V435 2.77 1 Yes Yes 9 8 2 2
R:R:F353 R:R:W490 8.02 1 Yes Yes 8 9 2 1
R:R:M356 R:R:W490 8.14 0 No Yes 9 9 2 1
R:R:W421 R:R:Y406 2.89 1 Yes No 8 2 1 2
R:R:F422 R:R:W421 16.04 1 Yes Yes 7 8 2 1
R:R:L431 R:R:W421 6.83 1 Yes Yes 6 8 2 1
R:R:V435 R:R:W421 3.68 1 Yes Yes 8 8 2 1
L:L:?4 R:R:W421 4.96 1 Yes Yes 0 8 0 1
R:R:F422 R:R:L431 6.09 1 Yes Yes 7 6 2 2
R:R:F422 R:R:V435 2.62 1 Yes Yes 7 8 2 2
R:R:L431 R:R:V435 2.98 1 Yes Yes 6 8 2 2
R:R:Q513 R:R:W490 5.48 0 Yes Yes 9 9 2 1
L:L:?4 R:R:W490 3.72 1 Yes Yes 0 9 0 1
R:R:F506 R:R:T496 5.19 1 Yes No 9 7 1 2
R:R:L498 R:R:V503 4.47 1 No No 4 6 1 2
R:R:F506 R:R:L498 3.65 1 Yes No 9 4 1 1
L:L:?4 R:R:L498 12.05 1 Yes No 0 4 0 1
R:R:F506 R:R:T502 3.89 1 Yes No 9 7 1 2
R:R:F506 R:R:I505 2.51 1 Yes No 9 7 1 2
L:L:?4 R:R:F506 11.93 1 Yes Yes 0 9 0 1
L:L:?4 R:R:N510 8.97 1 Yes Yes 0 9 0 1
L:L:?4 R:R:A493 1.71 1 Yes No 0 7 0 1
R:R:F345 R:R:G342 1.51 1 Yes No 8 9 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.74
Average Nodes In Shell30.00
Average Hubs In Shell14.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell38.00
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 Links8.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.74
Average Nodes In Shell30.00
Average Hubs In Shell14.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell38.00

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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 🔍)