CodeFX0
Name(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid
Synonyms
Identifier(2~{S},4~{R})-4-[(3~{R},5~{S},6~{R},7~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid
FormulaC27 H46 O5
Molecular Weight450.651
SMILESCC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O
PubChem45483949
Formal Charge0
Total Atoms78
Total Chiral Atoms13
Total Bonds81
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
7CFN A Steroid Bile acid GPBA Homo sapiens INT-777 - Gs/Beta1/Gamma2 3 2020-09-09 10.1038/s41586-020-2569-1

A 2D representation of the interactions of FX0 in 7CFN
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:F96 R:R:T64 5.19 6 Yes Yes 6 8 1 2
R:R:L71 R:R:S270 3 0 Yes No 7 8 1 2
L:L:?1 R:R:L71 3.95 6 Yes Yes 0 7 0 1
R:R:L74 R:R:Q77 5.32 0 No No 5 4 1 2
L:L:?1 R:R:L74 6.58 6 Yes No 0 5 0 1
R:R:S157 R:R:Y89 10.17 0 No Yes 5 5 1 2
R:R:I160 R:R:Y89 8.46 6 No Yes 5 5 2 2
R:R:F161 R:R:Y89 4.13 6 No Yes 5 5 1 2
R:R:N93 R:R:Y165 4.65 6 No Yes 6 7 1 2
R:R:E169 R:R:N93 11.83 6 Yes No 6 6 1 1
L:L:?1 R:R:N93 6.52 6 Yes No 0 6 0 1
R:R:F96 R:R:Y240 6.19 6 Yes Yes 6 7 1 1
R:R:F96 R:R:S270 3.96 6 Yes No 6 8 1 2
L:L:?1 R:R:F96 12.73 6 Yes Yes 0 6 0 1
R:R:E169 R:R:L97 6.63 6 Yes No 6 7 1 2
R:R:F138 R:R:Y165 14.44 6 Yes Yes 5 7 2 2
R:R:E169 R:R:F138 8.16 6 Yes Yes 6 5 1 2
L:L:?1 R:R:S157 8.56 6 Yes No 0 5 0 1
R:R:F161 R:R:I160 3.77 6 No No 5 5 1 2
L:L:?1 R:R:F161 3.47 6 Yes No 0 5 0 1
R:R:E169 R:R:Y165 3.37 6 Yes Yes 6 7 1 2
R:R:L166 R:R:Y251 8.21 0 No No 5 4 1 2
L:L:?1 R:R:L166 3.95 6 Yes No 0 5 0 1
R:R:E169 R:R:L174 3.98 6 Yes No 6 7 1 2
L:L:?1 R:R:E169 8.81 6 Yes Yes 0 6 0 1
R:R:L244 R:R:V170 4.47 0 No No 5 4 1 2
R:R:L174 R:R:L244 5.54 0 No No 7 5 2 1
R:R:W237 R:R:Y240 6.75 0 Yes Yes 8 7 2 1
R:R:A273 R:R:Y240 4 0 No Yes 9 7 2 1
L:L:?1 R:R:Y240 4.46 6 Yes Yes 0 7 0 1
L:L:?1 R:R:L244 5.26 6 Yes No 0 5 0 1
L:L:?1 R:R:S247 7.13 6 Yes No 0 5 0 1
L:L:?1 R:R:L266 3.95 6 Yes No 0 7 0 1
R:R:L71 R:R:P72 1.64 0 Yes Yes 7 6 1 2
R:R:L71 R:R:P92 1.64 0 Yes No 7 6 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength6.28
Average Nodes In Shell28.00
Average Hubs In Shell11.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell30.00
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 Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength6.28
Average Nodes In Shell28.00
Average Hubs In Shell11.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell30.00

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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 🔍)