Code87Q
NameZ-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
Synonyms7-[3,5-Dihydroxy-2-(3-hydroxy-3-methyloct-1-enyl)cyclopentyl]hept-5-enoic acid
Identifier(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{S})-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
FormulaC21 H36 O5
Molecular Weight368.508
SMILESCCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
PubChem5281075
Formal Charge0
Total Atoms62
Total Chiral Atoms5
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
8IQ4 A Lipid Prostanoid FP-alpha Homo Sapiens Carboprost - chim(NtGi1-Gs-CtGq)/Beta1/Gamma2 2.7 2024-01-31 10.1038/s41467-023-43922-8

A 2D representation of the interactions of 87Q in 8IQ4
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:V30 R:R:Y92 10.09 1 No Yes 6 8 2 1
R:R:F32 R:R:F36 3.22 1 No Yes 4 8 2 1
R:R:F32 R:R:R291 7.48 1 No Yes 4 8 2 1
L:L:?1 R:R:S33 6.89 1 Yes No 0 7 0 1
R:R:F36 R:R:R291 4.28 1 Yes Yes 8 8 1 1
R:R:F36 R:R:T294 6.49 1 Yes No 8 9 1 1
R:R:F36 R:R:W295 6.01 1 Yes No 8 5 1 2
R:R:F36 R:R:I298 3.77 1 Yes No 8 8 1 2
L:L:?1 R:R:F36 3.19 1 Yes Yes 0 8 0 1
R:R:G85 R:R:M37 5.24 0 No No 7 7 1 2
R:R:G40 R:R:H81 7.94 0 No No 9 8 2 1
R:R:G80 R:R:S118 3.71 0 No No 8 7 2 1
R:R:H81 R:R:I298 5.3 0 No No 8 8 1 2
L:L:?1 R:R:H81 13.49 1 Yes No 0 8 0 1
R:R:F111 R:R:N84 4.83 1 Yes Yes 6 6 2 1
R:R:C114 R:R:N84 3.15 0 No Yes 4 6 2 1
R:R:M115 R:R:N84 9.82 1 No Yes 8 6 1 1
R:R:N84 R:R:S118 5.96 1 Yes No 6 7 1 1
L:L:?1 R:R:N84 4.5 1 Yes Yes 0 6 0 1
L:L:?1 R:R:G85 3.36 1 Yes No 0 7 0 1
L:L:?1 R:R:A88 4.13 1 Yes No 0 8 0 1
R:R:K96 R:R:Y92 5.97 1 No Yes 5 8 2 1
R:R:T184 R:R:Y92 11.24 1 Yes Yes 9 8 1 1
L:L:?1 R:R:Y92 6.92 1 Yes Yes 0 8 0 1
R:R:K96 R:R:T184 4.5 1 No Yes 5 9 2 1
R:R:F111 R:R:M115 3.73 1 Yes No 6 8 2 1
L:L:?1 R:R:M115 10.2 1 Yes No 0 8 0 1
L:L:?1 R:R:S118 3.94 1 Yes No 0 7 0 1
L:L:?1 R:R:G119 3.36 1 Yes No 0 7 0 1
R:R:P122 R:R:Q297 11.05 0 No Yes 9 8 2 1
R:R:S182 R:R:T184 4.8 1 No Yes 8 9 2 1
R:R:S182 R:R:W185 7.41 1 No Yes 8 8 2 2
R:R:T184 R:R:W185 3.64 1 Yes Yes 9 8 1 2
L:L:?1 R:R:T184 7.73 1 Yes Yes 0 9 0 1
R:R:L290 R:R:W185 10.25 0 No Yes 7 8 1 2
R:R:F265 R:R:W262 7.02 1 Yes Yes 8 9 2 2
R:R:N296 R:R:W262 12.43 1 Yes Yes 9 9 2 2
R:R:Q297 R:R:W262 10.95 1 Yes Yes 8 9 1 2
R:R:F265 R:R:L290 3.65 1 Yes No 8 7 2 1
R:R:L287 R:R:R291 14.58 1 No Yes 6 8 1 1
L:L:?1 R:R:L287 4.54 1 Yes No 0 6 0 1
L:L:?1 R:R:L290 4.54 1 Yes No 0 7 0 1
L:L:?1 R:R:R291 5.58 1 Yes Yes 0 8 0 1
L:L:?1 R:R:T294 14.5 1 Yes No 0 9 0 1
R:R:I298 R:R:W295 9.4 1 No No 8 5 2 2
R:R:N296 R:R:Q297 9.24 1 Yes Yes 9 8 2 1
L:L:?1 R:R:Q297 12.22 1 Yes Yes 0 8 0 1
R:R:L28 R:R:L287 1.38 0 No No 4 6 2 1
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.82
Average Nodes In Shell34.00
Average Hubs In Shell12.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell42.00
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 Links16.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.82
Average Nodes In Shell34.00
Average Hubs In Shell12.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell42.00

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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 🔍)