CodeJ9P
Name(11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid
Synonyms
Identifier7-[(1~{R},2~{R},3~{R})-2-[(~{E},4~{S})-4-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid
FormulaC21 H36 O5
Molecular Weight368.508
SMILESCCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
PubChem9820635
Formal Charge0
Total Atoms62
Total Chiral Atoms4
Total Bonds62
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
6M9T A Lipid Prostanoid EP3 Homo sapiens Misoprostol-FA - - 2.5 2018-12-05 10.1038/s41589-018-0160-y

A 2D representation of the interactions of J9P in 6M9T
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:V50 R:R:Y114 5.05 1 No Yes 4 8 2 1
R:R:P204 R:R:V50 8.84 1 No No 7 4 2 2
R:R:V52 R:R:Y114 7.57 0 No Yes 5 8 2 1
R:R:F54 R:R:R333 23.52 0 No No 4 8 2 1
R:R:I340 R:R:M58 4.37 0 No No 9 8 2 1
L:L:?1 R:R:M58 3.86 1 Yes No 0 8 0 1
R:R:L59 R:R:T107 14.74 0 No Yes 7 8 2 1
R:R:D99 R:R:S144 4.42 1 Yes No 9 8 2 2
R:R:D99 R:R:Q339 9.14 1 Yes Yes 9 8 2 1
R:R:D342 R:R:D99 9.31 1 Yes Yes 9 9 2 2
R:R:F133 R:R:T106 6.49 2 Yes No 6 6 2 1
L:L:?1 R:R:T106 9.06 1 Yes No 0 6 0 1
L:L:?1 R:R:T107 12.08 1 Yes Yes 0 8 0 1
L:L:?1 R:R:V110 7.12 1 Yes No 0 8 0 1
R:R:T206 R:R:Y114 13.73 1 Yes Yes 8 8 1 1
L:L:?1 R:R:Y114 7.2 1 Yes Yes 0 8 0 1
R:R:Q118 R:R:T206 4.25 0 No Yes 3 8 2 1
R:R:F133 R:R:M137 7.46 2 Yes No 6 7 2 1
L:L:?1 R:R:M137 7.72 1 Yes No 0 7 0 1
R:R:Q339 R:R:S144 8.66 1 Yes No 8 8 1 2
R:R:Q202 R:R:W207 15.33 0 No Yes 8 7 2 1
R:R:P204 R:R:T206 10.49 1 No Yes 7 8 2 1
R:R:T206 R:R:W207 3.64 1 Yes Yes 8 7 1 1
L:L:?1 R:R:T206 7.04 1 Yes Yes 0 8 0 1
R:R:F209 R:R:W207 6.01 1 Yes Yes 8 7 2 1
R:R:F328 R:R:W207 4.01 0 No Yes 6 7 2 1
R:R:V332 R:R:W207 13.48 0 No Yes 7 7 2 1
L:L:?1 R:R:W207 8.55 1 Yes Yes 0 7 0 1
R:R:N338 R:R:W295 7.91 1 Yes Yes 9 8 2 2
R:R:Q339 R:R:W295 9.86 1 Yes Yes 8 8 1 2
R:R:L329 R:R:R333 12.15 1 No No 7 8 1 1
L:L:?1 R:R:L329 4.72 1 Yes No 0 7 0 1
L:L:?1 R:R:R333 6.64 1 Yes No 0 8 0 1
L:L:?1 R:R:S336 16.4 1 Yes No 0 8 0 1
R:R:N338 R:R:Q339 7.92 1 Yes Yes 9 8 2 1
R:R:D342 R:R:N338 6.73 1 Yes Yes 9 9 2 2
R:R:D342 R:R:Q339 3.92 1 Yes Yes 9 8 2 1
L:L:?1 R:R:Q339 6.36 1 Yes Yes 0 8 0 1
R:R:P55 R:R:V110 3.53 0 No No 7 8 2 1
R:R:P108 R:R:T107 3.5 0 No Yes 8 8 2 1
L:L:?1 R:R:G141 3.5 1 Yes No 0 7 0 1
R:R:I111 R:R:T107 3.04 0 No Yes 7 8 2 1
R:R:L329 R:R:S49 1.5 1 No Yes 7 4 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.71
Average Nodes In Shell35.00
Average Hubs In Shell13.00
Average Links In Shell43.00
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 Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.71
Average Nodes In Shell35.00
Average Hubs In Shell13.00
Average Links In Shell43.00
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 🔍)