CodeYX9
Name(5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one
Synonyms
Identifier(5~{S})-5-[(3~{R})-4,4-bis(fluoranyl)-3-oxidanyl-4-phenyl-butyl]-1-[6-(1~{H}-1,2,3,4-tetrazol-5-yl)hexyl]pyrrolidin-2-one
FormulaC21 H29 F2 N5 O2
Molecular Weight421.484
SMILESc1ccc(cc1)C([C@@H](CC[C@H]2CCC(=O)N2CCCCCCc3[nH]nnn3)O)(F)F
PubChem25014543
Formal Charge0
Total Atoms59
Total Chiral Atoms2
Total Bonds61
Total Aromatic Bonds11
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
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
R:R:I23 R:R:P24 3.39 2 No No 6 7 1 1
R:R:I23 R:R:R316 6.26 2 No Yes 6 7 1 2
L:L:?1 R:R:I23 5.14 2 Yes No 0 6 0 1
L:L:?1 R:R:P24 2.96 2 Yes No 0 7 0 1
R:R:M27 R:R:R316 7.44 2 No Yes 8 7 1 2
R:R:I323 R:R:M27 2.92 2 Yes No 8 8 1 1
L:L:?1 R:R:M27 10.19 2 Yes No 0 8 0 1
R:R:F30 R:R:I323 5.02 2 Yes Yes 5 8 2 1
R:R:F30 R:R:L324 2.44 2 Yes Yes 5 7 2 2
R:R:G31 R:R:I323 3.53 0 No Yes 8 8 2 1
R:R:N35 R:R:T69 5.85 2 Yes No 9 8 2 1
R:R:I323 R:R:T69 3.04 2 Yes No 8 8 1 1
L:L:?1 R:R:T69 3.98 2 Yes No 0 8 0 1
L:L:?1 R:R:T79 7.97 2 Yes No 0 7 0 1
R:R:F171 R:R:L99 3.65 2 Yes No 6 8 2 1
L:L:?1 R:R:L99 6.24 2 Yes No 0 8 0 1
R:R:P166 R:R:Q164 6.32 2 Yes Yes 6 7 2 2
R:R:Q164 R:R:W169 36.14 2 Yes Yes 7 5 2 1
R:R:L312 R:R:Q164 11.98 2 Yes Yes 6 7 2 2
R:R:P166 R:R:T168 8.74 2 Yes No 6 6 2 1
R:R:L312 R:R:P166 3.28 2 Yes Yes 6 6 2 2
R:R:T168 R:R:W169 6.06 2 No Yes 6 5 1 1
L:L:?1 R:R:T168 9.3 2 Yes No 0 6 0 1
R:R:F171 R:R:W169 2 2 Yes Yes 6 5 2 1
R:R:W169 R:R:W174 4.69 2 Yes Yes 5 5 1 2
R:R:L312 R:R:W169 3.42 2 Yes Yes 6 5 2 1
L:L:?1 R:R:W169 21.55 2 Yes Yes 0 5 0 1
R:R:I315 R:R:L288 2.85 2 No No 6 7 1 2
R:R:I315 R:R:S319 4.64 2 No No 6 8 1 1
L:L:?1 R:R:I315 6.43 2 Yes No 0 6 0 1
L:L:?1 R:R:S319 6.76 2 Yes No 0 8 0 1
R:R:I323 R:R:L324 2.85 2 Yes Yes 8 7 1 2
L:L:?1 R:R:I323 5.14 2 Yes Yes 0 8 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub2.00
Average Interaction Strength7.79
Average Nodes In Shell23.00
Average Hubs In Shell12.00
Average Links In Shell33.00
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 🔍)
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub2.00
Average Interaction Strength7.79
Average Nodes In Shell23.00
Average Hubs In Shell12.00
Average Links In Shell33.00
Average Links Mediated by Hubs In Shell30.00

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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 🔍)