CodeYX9
Name(5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one
Synonyms
Identifier
FormulaC21 H29 F2 N5 O2
Molecular Weight421.484
SMILES
PubChem25014543
Formal Charge0
Total Atoms59
Total Chiral Atoms2
Total Bonds61
Total Aromatic Bonds11
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
8GCM A Lipid Prostanoid EP4 Homo Sapiens L902688 - Gi1/Beta1/Gamma2 3.5 2024-01-03 10.1073/pnas.2216329120

A 2D representation of the interactions of YX9 in 8GCM
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:I23 5.49 3 Yes No 0 6 0 1
L:L:?1 R:R:P24 15.8 3 Yes No 0 7 0 1
L:L:?1 R:R:M27 10.88 3 Yes No 0 8 0 1
L:L:?1 R:R:T69 5.67 3 Yes Yes 0 8 0 1
L:L:?1 R:R:S73 4.34 3 Yes No 0 8 0 1
L:L:?1 R:R:T79 8.51 3 Yes No 0 7 0 1
L:L:?1 R:R:L99 6.66 3 Yes No 0 8 0 1
L:L:?1 R:R:T168 9.93 3 Yes Yes 0 6 0 1
L:L:?1 R:R:W169 23.02 3 Yes Yes 0 5 0 1
L:L:?1 R:R:I315 6.87 3 Yes No 0 6 0 1
L:L:?1 R:R:S319 2.89 3 Yes No 0 8 0 1
L:L:?1 R:R:I323 2.75 3 Yes No 0 8 0 1
R:R:I23 R:R:P24 3.39 3 No No 6 7 1 1
R:R:I23 R:R:R316 6.26 3 No Yes 6 7 1 2
R:R:M27 R:R:V26 6.09 3 No No 8 5 1 2
R:R:R316 R:R:V26 5.23 3 Yes No 7 5 2 2
R:R:M27 R:R:R316 11.17 3 No Yes 8 7 1 2
R:R:F28 R:R:S73 5.28 0 No No 6 8 2 1
R:R:G31 R:R:T69 1.82 0 No Yes 8 8 2 1
R:R:D65 R:R:T69 2.89 3 Yes Yes 9 8 2 1
R:R:D65 R:R:F102 2.39 3 Yes Yes 9 7 2 2
R:R:L70 R:R:T69 2.95 0 No Yes 5 8 2 1
R:R:F102 R:R:T69 2.59 3 Yes Yes 7 8 2 1
R:R:P74 R:R:S73 5.34 0 No No 9 8 2 1
R:R:F171 R:R:L99 3.65 3 Yes No 6 8 2 1
R:R:P166 R:R:Q164 12.63 3 Yes Yes 6 7 2 2
R:R:Q164 R:R:T168 11.34 3 Yes Yes 7 6 2 1
R:R:Q164 R:R:W169 37.24 3 Yes Yes 7 5 2 1
R:R:P166 R:R:T168 8.74 3 Yes Yes 6 6 2 1
R:R:T168 R:R:W169 6.06 3 Yes Yes 6 5 1 1
R:R:F171 R:R:W169 2 3 Yes Yes 6 5 2 1
R:R:W169 R:R:W174 4.69 3 Yes Yes 5 5 1 2
R:R:I315 R:R:S319 7.74 3 No No 6 8 1 1
R:R:R316 R:R:V320 6.54 3 Yes Yes 7 5 2 2
R:R:I323 R:R:V320 4.61 3 No Yes 8 5 1 2
R:R:L324 R:R:V320 4.47 3 No Yes 7 5 2 2
R:R:I323 R:R:L324 7.14 3 No No 8 7 1 2
R:R:S103 R:R:S319 1.63 0 No No 7 8 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.57
Average Nodes In Shell28.00
Average Hubs In Shell12.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell31.00
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 Hub3.00
Average Interaction Strength8.57
Average Nodes In Shell28.00
Average Hubs In Shell11.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell28.50

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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 🔍)