Code87Q
NameCarboprost
Synonyms(e,z)-(1r,2r,3r,5s)-7-(3,5-dihydroxy-2-((3s)-(3-hydroxy-3-methyl-1-octenyl))cyclopentyl)-5-heptenoic acid
Identifier
FormulaC21 H36 O5
Molecular Weight368.508
SMILES
PubChem5281075
Formal Charge0
Total Atoms62
Total Chiral Atoms5
Total Bonds62
Total Aromatic Bonds0
Networks2
 missing image

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
8IQ4 A Lipid Prostanoid FP-alpha Homo Sapiens Carboprost - chim(NtGi1-Gs-CtGq)/Beta1/Gamma2 2.7 2024-01-31 doi.org/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
L:L:?1 R:R:S33 6.89 1 Yes No 0 7 0 1
L:L:?1 R:R:F36 3.19 1 Yes Yes 0 8 0 1
L:L:?1 R:R:H81 13.49 1 Yes No 0 8 0 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
L:L:?1 R:R:Y92 6.92 1 Yes Yes 0 8 0 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
L:L:?1 R:R:T184 7.73 1 Yes Yes 0 9 0 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
L:L:?1 R:R:Q297 12.22 1 Yes Yes 0 8 0 1
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
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 Yes 8 8 1 2
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 Yes 8 8 1 2
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
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
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
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
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
R:R:I298 R:R:T294 3.04 1 Yes No 8 9 2 1
R:R:I298 R:R:W295 9.4 1 Yes No 8 5 2 2
R:R:N296 R:R:Q297 9.24 1 Yes Yes 9 8 2 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 Shell13.00
Average Links In Shell49.00
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 🔍)
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 Shell12.50
Average Links In Shell48.50
Average Links Mediated by Hubs In Shell43.50

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 🔍)