CodeCO1
Name17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL
Synonyms24,25(S)-EPOXYCHOLESTEROL
Identifier(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
FormulaC27 H44 O2
Molecular Weight400.637
SMILESC[C@H](CC[C@H]1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
PubChem3247059
Formal Charge0
Total Atoms73
Total Chiral Atoms9
Total Bonds77
Total Aromatic Bonds0
Networks2
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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
6OT0 F Protein Frizzled SMO Homo sapiens - 25(S)-Epoxycholesterol Gi1/Beta1/Gamma2 3.84 2019-06-12 10.1038/s41586-019-1286-0

A 2D representation of the interactions of CO1 in 6OT0
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:F274 R:R:M525 2.49 5 No Yes 9 5 2 1
R:R:I389 R:R:W281 17.62 0 No Yes 9 7 2 2
R:R:M525 R:R:W281 6.98 5 Yes Yes 5 7 1 2
R:R:F526 R:R:W281 4.01 5 Yes Yes 9 7 2 2
R:R:F318 R:R:F391 13.93 0 Yes No 9 8 2 1
R:R:F391 R:R:I389 2.51 0 No No 8 9 1 2
R:R:F391 W:W:?1 20.1 0 No Yes 8 0 1 0
R:R:G393 R:R:V392 3.68 5 No No 9 9 1 2
R:R:G393 R:R:R400 3 5 No Yes 9 9 1 1
R:R:G393 W:W:?1 4.03 5 No Yes 9 0 1 0
R:R:R400 R:R:V404 5.23 5 Yes No 9 7 1 2
R:R:L405 R:R:R400 4.86 5 No Yes 8 9 2 1
R:R:H470 R:R:R400 7.9 5 No Yes 7 9 1 1
R:R:R400 W:W:?1 9.55 5 Yes Yes 9 0 1 0
R:R:L405 R:R:V404 2.98 5 No No 8 7 2 2
R:R:N521 R:R:T466 11.7 5 Yes No 8 8 1 2
R:R:C469 R:R:N521 6.3 0 No Yes 7 8 2 1
R:R:H470 R:R:N521 2.55 5 No Yes 7 8 1 1
R:R:H470 W:W:?1 4.04 5 No Yes 7 0 1 0
R:R:N521 W:W:?1 12.95 5 Yes Yes 8 0 1 0
R:R:F526 R:R:M525 2.49 5 Yes Yes 9 5 2 1
R:R:M525 W:W:?1 11.11 5 Yes Yes 5 0 1 0
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.30
Average Nodes In Shell17.00
Average Hubs In Shell7.00
Average Links In Shell22.00
Average Links Mediated by Hubs In Shell19.00
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
6XBM F Protein Frizzled SMO Homo sapiens - 25(S)-Epoxycholesterol Gi1/Beta1/Gamma2 3.14 2020-09-30 10.1038/s41589-020-0646-2

A 2D representation of the interactions of CO1 in 6XBM
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:N219 R:R:P220 4.89 2 Yes Yes 7 8 1 2
R:R:L221 R:R:N219 8.24 0 No Yes 6 7 2 1
R:R:F222 R:R:N219 4.83 2 Yes Yes 6 7 1 1
R:R:D384 R:R:N219 4.04 2 Yes Yes 8 7 1 1
R:R:N219 W:W:?1 3.24 2 Yes Yes 7 0 1 0
R:R:N219 W:W:?2 4.32 2 Yes Yes 7 0 1 2
R:R:L221 R:R:P513 8.21 0 No No 6 8 2 2
R:R:E226 R:R:F222 7 0 No Yes 8 6 2 1
R:R:F222 R:R:V386 9.18 2 Yes Yes 6 5 1 2
R:R:F222 R:R:P513 7.22 2 Yes No 6 8 1 2
R:R:E518 R:R:F222 4.66 2 Yes Yes 7 6 1 1
R:R:F222 W:W:?1 5.74 2 Yes Yes 6 0 1 0
R:R:M230 R:R:V386 3.04 2 Yes Yes 7 5 2 2
R:R:E518 R:R:M230 2.71 2 Yes Yes 7 7 1 2
R:R:S387 R:R:W281 3.71 2 Yes Yes 8 7 1 2
R:R:I389 R:R:W281 11.74 2 No Yes 9 7 2 2
R:R:M525 R:R:W281 5.82 2 No Yes 5 7 1 2
R:R:F391 R:R:Y322 3.09 2 No Yes 8 9 1 2
R:R:L325 R:R:M525 4.24 2 No No 5 5 1 1
R:R:L325 W:W:?1 4.35 2 No Yes 5 0 1 0
R:R:D382 R:R:Y394 6.9 0 No Yes 9 5 2 1
R:R:D384 R:R:V386 5.84 2 Yes Yes 8 5 1 2
R:R:D384 R:R:S387 5.89 2 Yes Yes 8 8 1 1
R:R:D384 R:R:Y394 9.2 2 Yes Yes 8 5 1 1
R:R:D384 W:W:?1 11.73 2 Yes Yes 8 0 1 0
R:R:I389 R:R:S387 4.64 2 No Yes 9 8 2 1
R:R:S387 W:W:?1 3.54 2 Yes Yes 8 0 1 0
R:R:F391 R:R:Y394 5.16 2 No Yes 8 5 1 1
R:R:F391 W:W:?1 5.74 2 No Yes 8 0 1 0
R:R:Y394 W:W:?1 11.05 2 Yes Yes 5 0 1 0
R:R:Y394 W:W:?2 2.76 2 Yes Yes 5 0 1 2
R:R:R400 R:R:Y397 3.09 2 Yes Yes 9 3 1 2
R:R:F474 R:R:Y397 12.38 2 Yes Yes 6 3 2 2
R:R:H470 R:R:R400 5.64 2 Yes Yes 7 9 1 1
R:R:F474 R:R:R400 6.41 2 Yes Yes 6 9 2 1
R:R:R400 W:W:?1 10.5 2 Yes Yes 9 0 1 0
R:R:L405 R:R:V404 2.98 2 No No 8 7 2 2
R:R:H470 R:R:V404 2.77 2 Yes No 7 7 1 2
R:R:H470 R:R:L405 11.57 2 Yes No 7 8 1 2
R:R:H470 R:R:T466 2.74 2 Yes No 7 8 1 1
R:R:T466 W:W:?1 6.95 2 No Yes 8 0 1 0
R:R:C469 R:R:N521 7.87 0 No No 7 8 2 1
R:R:H470 R:R:N521 3.83 2 Yes No 7 8 1 1
R:R:H470 W:W:?1 5.05 2 Yes Yes 7 0 1 0
R:R:D473 R:R:N476 5.39 2 No No 8 6 1 2
R:R:D473 R:R:E518 3.9 2 No Yes 8 7 1 1
R:R:D473 W:W:?1 3.2 2 No Yes 8 0 1 0
R:R:E518 W:W:?1 11.45 2 Yes Yes 7 0 1 0
R:R:N521 W:W:?1 9.71 2 No Yes 8 0 1 0
R:R:M525 W:W:?1 13.33 2 No Yes 5 0 1 0
R:R:A524 R:R:T466 1.68 0 No No 7 8 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub8.00
Average Interaction Strength7.54
Average Nodes In Shell33.00
Average Hubs In Shell17.00
Average Links In Shell51.00
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 🔍)

A 2D representation of the interactions of CO1 in 6XBM
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:P196 R:R:P220 3.9 2 Yes Yes 7 8 2 2
R:R:F484 R:R:P196 4.33 2 Yes Yes 6 7 1 2
R:R:Y207 W:W:?2 21.19 0 No Yes 7 0 1 0
R:R:I215 R:R:M301 5.83 2 No No 5 4 1 1
R:R:I215 W:W:?2 5.61 2 No Yes 5 0 1 0
R:R:N219 R:R:P220 4.89 2 Yes Yes 7 8 1 2
R:R:L221 R:R:N219 8.24 0 No Yes 6 7 2 1
R:R:F222 R:R:N219 4.83 2 Yes Yes 6 7 2 1
R:R:D384 R:R:N219 4.04 2 Yes Yes 8 7 2 1
R:R:N219 W:W:?1 3.24 2 Yes Yes 7 0 1 2
R:R:N219 W:W:?2 4.32 2 Yes Yes 7 0 1 0
R:R:F484 R:R:P220 4.33 2 Yes Yes 6 8 1 2
R:R:F222 W:W:?1 5.74 2 Yes Yes 6 0 2 2
R:R:L303 R:R:M301 5.65 0 No No 3 4 2 1
R:R:M301 W:W:?2 4.44 2 No Yes 4 0 1 0
R:R:D382 R:R:Y394 6.9 0 No Yes 9 5 2 1
R:R:D384 R:R:Y394 9.2 2 Yes Yes 8 5 2 1
R:R:D384 W:W:?1 11.73 2 Yes Yes 8 0 2 2
R:R:F391 R:R:Y394 5.16 2 No Yes 8 5 2 1
R:R:F391 W:W:?1 5.74 2 No Yes 8 0 2 2
R:R:Y394 W:W:?1 11.05 2 Yes Yes 5 0 1 2
R:R:Y394 W:W:?2 2.76 2 Yes Yes 5 0 1 0
R:R:E481 R:R:R482 12.79 0 No No 5 3 1 2
R:R:F484 R:R:V488 7.87 2 Yes No 6 6 1 2
R:R:F484 W:W:?2 4.79 2 Yes Yes 6 0 1 0
R:R:R485 W:W:?2 12.41 0 No Yes 5 0 1 0
R:R:D486 R:R:R485 2.38 0 No No 4 5 2 1
R:R:E481 W:W:?2 1.04 0 No Yes 5 0 1 0
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength7.07
Average Nodes In Shell21.00
Average Hubs In Shell9.00
Average Links In Shell28.00
Average Links Mediated by Hubs In Shell24.00
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 Links9.33
Average Number Of Links With An Hub4.67
Average Interaction Strength8.30
Average Nodes In Shell23.67
Average Hubs In Shell11.00
Average Links In Shell33.67
Average Links Mediated by Hubs In Shell29.33

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 🔍)