CodeKJX
Name(2S,4aS,4bS,7R,8S,8aS,9R,10aR)-7-[(2R,3R)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol
Synonyms
Identifier
FormulaC27 H46 O3
Molecular Weight418.652
SMILES
PubChem11954197
Formal Charge0
Total Atoms76
Total Chiral Atoms9
Total Bonds79
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
7TUZ A Orphan Orphan GPR183 Homo Sapiens 7-alpha,25-dihydroxycholesterol - Gi1/Beta1/Gamma2 3.12 2022-04-13 10.1016/j.str.2022.04.006

A 2D representation of the interactions of KJX in 7TUZ
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:?1 R:R:Y112 23.5 3 Yes Yes 0 4 0 1
L:L:?1 R:R:Y116 18.16 3 Yes Yes 0 6 0 1
L:L:?1 R:R:Q162 7.28 3 Yes No 0 5 0 1
L:L:?1 R:R:Y184 5.34 3 Yes Yes 0 4 0 1
L:L:?1 R:R:L197 2.52 3 Yes No 0 5 0 1
L:L:?1 R:R:A200 5.74 3 Yes No 0 5 0 1
L:L:?1 R:R:Y260 12.82 3 Yes Yes 0 6 0 1
L:L:?1 R:R:L290 3.78 3 Yes Yes 0 5 0 1
L:L:?1 R:R:V294 4.07 3 Yes No 0 5 0 1
R:R:V294 R:R:Y38 3.79 3 No Yes 5 7 1 2
R:R:F111 R:R:R87 3.21 3 Yes No 5 6 2 2
R:R:R87 R:R:Y112 3.09 3 No Yes 6 4 2 1
R:R:F111 R:R:Y112 16.5 3 Yes Yes 5 4 2 1
R:R:Y112 R:R:Y260 4.96 3 Yes Yes 4 6 1 1
R:R:T115 R:R:Y116 6.24 3 No Yes 7 6 2 1
R:R:M297 R:R:T115 4.52 3 Yes No 8 7 2 2
R:R:Y116 R:R:Y260 3.97 3 Yes Yes 6 6 1 1
R:R:H261 R:R:Y116 8.71 3 Yes Yes 8 6 2 1
R:R:M297 R:R:Y116 7.18 3 Yes Yes 8 6 2 1
R:R:P185 R:R:Y184 5.56 0 No Yes 5 4 2 1
R:R:F187 R:R:Y184 2.06 3 No Yes 2 4 2 1
R:R:E188 R:R:Y184 11.22 0 No Yes 4 4 2 1
R:R:L193 R:R:Y184 2.34 3 No Yes 3 4 2 1
R:R:F286 R:R:Y184 5.16 3 Yes Yes 4 4 2 1
R:R:F187 R:R:L193 2.44 3 No No 2 3 2 2
R:R:H261 R:R:Y260 9.8 3 Yes Yes 8 6 2 1
R:R:I264 R:R:Y260 2.42 3 No Yes 5 6 2 1
R:R:L290 R:R:Y260 4.69 3 Yes Yes 5 6 1 1
R:R:T293 R:R:Y260 6.24 0 No Yes 7 6 2 1
R:R:V294 R:R:Y260 2.52 3 No Yes 5 6 1 1
R:R:M297 R:R:Y260 13.17 3 Yes Yes 8 6 2 1
R:R:I264 R:R:L290 4.28 3 No Yes 5 5 2 1
R:R:F286 R:R:L290 2.44 3 Yes Yes 4 5 2 1
R:R:L290 R:R:S289 1.5 3 Yes No 5 5 1 2
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.25
Average Nodes In Shell24.00
Average Hubs In Shell11.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell33.00
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 Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.25
Average Nodes In Shell23.50
Average Hubs In Shell9.00
Average Links In Shell31.50
Average Links Mediated by Hubs In Shell29.50

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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 🔍)