CodeJW0
Name(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Synonyms
Identifier
FormulaC24 H41 O7 P
Molecular Weight472.552
SMILES
PubChem172408416
Formal Charge0
Total Atoms73
Total Chiral Atoms10
Total Bonds76
Total Aromatic Bonds0
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8K4S A Orphan Orphan MRGPRX4 Homo Sapiens DCA-3P - chim(NtGi1L-Gs-CtGq)/Beta1/Gamma2 2.9 2024-11-06 doi.org/10.1016/j.cell.2024.10.001

A 2D representation of the interactions of JW0 in 8K4S
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:R95 12.38 7 Yes Yes 0 7 0 1
L:L:?1 R:R:K96 8.62 7 Yes No 0 5 0 1
L:L:?1 R:R:V99 9.11 7 Yes No 0 5 0 1
L:L:?1 R:R:T103 5.01 7 Yes No 0 4 0 1
L:L:?1 R:R:F107 5.79 7 Yes No 0 6 0 1
L:L:?1 R:R:L156 31.97 7 Yes No 0 7 0 1
L:L:?1 R:R:P180 6.69 7 Yes Yes 0 5 0 1
L:L:?1 R:R:G236 10.46 7 Yes No 0 4 0 1
L:L:?1 R:R:I239 7.76 7 Yes No 0 4 0 1
L:L:?1 R:R:Y240 8.76 7 Yes Yes 0 4 0 1
L:L:?1 R:R:L246 9.4 7 Yes No 0 1 0 1
L:L:?1 R:R:Y254 7.17 7 Yes Yes 0 3 0 1
R:R:R82 R:R:R95 4.26 7 Yes Yes 4 7 2 1
R:R:R82 R:R:V99 6.54 7 Yes No 4 5 2 1
R:R:M102 R:R:R82 7.44 7 Yes Yes 4 4 2 2
R:R:R82 R:R:Y254 8.23 7 Yes Yes 4 3 2 1
R:R:M102 R:R:V99 3.04 7 Yes No 4 5 2 1
R:R:F107 R:R:W183 3.01 0 No Yes 6 5 1 2
R:R:L156 R:R:P180 3.28 7 No Yes 7 5 1 1
R:R:L156 R:R:Y240 18.76 7 No Yes 7 4 1 1
R:R:E157 R:R:Y240 3.37 0 No Yes 5 4 2 1
R:R:I179 R:R:P180 5.08 0 No Yes 5 5 2 1
R:R:P180 R:R:Y240 5.56 7 Yes Yes 5 4 1 1
R:R:V181 R:R:Y240 5.05 0 No Yes 4 4 2 1
R:R:F232 R:R:Y254 7.22 0 No Yes 6 3 2 1
R:R:L235 R:R:Y254 4.69 0 No Yes 3 3 2 1
R:R:I239 R:R:Y250 3.63 0 No Yes 4 3 1 2
R:R:R241 R:R:Y240 13.38 0 No Yes 3 4 2 1
R:R:F107 R:R:L184 2.44 0 No No 6 7 1 2
R:R:L85 R:R:R95 2.43 0 No Yes 4 7 2 1
R:R:I90 R:R:R95 1.25 0 No Yes 3 7 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.26
Average Nodes In Shell26.00
Average Hubs In Shell9.00
Average Links In Shell31.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8KEX A Orphan Orphan MRGPRX4 Homo Sapiens DCA-3P - - 3.2 2024-11-06 doi.org/10.1016/j.cell.2024.10.001

A 2D representation of the interactions of JW0 in 8KEX
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:R82 8.25 1 Yes Yes 0 4 0 1
L:L:?1 R:R:R95 9.08 1 Yes Yes 0 7 0 1
L:L:?1 R:R:K96 4.79 1 Yes No 0 5 0 1
L:L:?1 R:R:V99 21.26 1 Yes No 0 5 0 1
L:L:?1 R:R:T103 15.02 1 Yes No 0 4 0 1
L:L:?1 R:R:F107 4.97 1 Yes No 0 6 0 1
L:L:?1 R:R:L156 18.81 1 Yes No 0 7 0 1
L:L:?1 R:R:F232 5.79 1 Yes Yes 0 6 0 1
L:L:?1 R:R:G236 11.62 1 Yes No 0 4 0 1
L:L:?1 R:R:I239 7.76 1 Yes No 0 4 0 1
L:L:?1 R:R:L246 9.4 1 Yes No 0 1 0 1
L:L:?1 R:R:Y254 16.73 1 Yes Yes 0 3 0 1
R:R:L83 R:R:R82 4.86 1 Yes Yes 6 4 2 1
R:R:R82 R:R:R86 7.46 1 Yes Yes 4 3 1 2
R:R:R82 R:R:R95 4.26 1 Yes Yes 4 7 1 1
R:R:L98 R:R:R82 4.86 0 No Yes 4 4 2 1
R:R:M102 R:R:R82 3.72 0 No Yes 4 4 2 1
R:R:R82 R:R:Y254 8.23 1 Yes Yes 4 3 1 1
R:R:R86 R:R:R95 10.66 1 Yes Yes 3 7 2 1
R:R:R86 R:R:Y254 6.17 1 Yes Yes 3 3 2 1
R:R:I90 R:R:R95 10.02 0 No Yes 3 7 2 1
R:R:F232 R:R:Y106 9.28 1 Yes Yes 6 8 1 2
R:R:F107 R:R:W183 5.01 0 No Yes 6 5 1 2
R:R:L156 R:R:P180 4.93 0 No No 7 5 1 2
R:R:L156 R:R:Y240 14.07 0 No Yes 7 4 1 2
R:R:F232 R:R:Y254 4.13 1 Yes Yes 6 3 1 1
R:R:F232 R:R:S261 11.89 1 Yes No 6 8 1 2
R:R:G236 R:R:I239 3.53 1 No No 4 4 1 1
R:R:L235 R:R:Y254 3.52 0 No Yes 3 3 2 1
R:R:I239 R:R:L244 1.43 1 No No 4 1 1 2
R:R:K96 R:R:L93 1.41 0 No No 5 4 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength11.12
Average Nodes In Shell26.00
Average Hubs In Shell10.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell27.00
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 Hub3.67
Average Interaction Strength10.55
Average Nodes In Shell25.67
Average Hubs In Shell8.67
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell27.67

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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 🔍)