CodeIUD
NamePaltusotine
Synonyms3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile
Identifier
FormulaC27 H22 F2 N4 O
Molecular Weight456.487
SMILES
PubChem134168328
Formal Charge0
Total Atoms56
Total Chiral Atoms0
Total Bonds60
Total Aromatic Bonds23
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
7YAC A Peptide Somatostatin SST2 Homo Sapiens Paltusotine - Gi1/Beta1/Gamma2 3.24 2023-04-19  10.1038/s41467-023-36673-z

A 2D representation of the interactions of IUD in 7YAC
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:L99 19.14 7 Yes No 0 6 0 1
L:L:?1 R:R:Q102 12.27 7 Yes No 0 5 0 1
L:L:?1 R:R:D122 8.76 7 Yes Yes 0 6 0 1
L:L:?1 R:R:Q126 7.36 7 Yes Yes 0 7 0 1
L:L:?1 R:R:T194 5.44 7 Yes No 0 4 0 1
L:L:?1 R:R:I195 5.26 7 Yes No 0 5 0 1
L:L:?1 R:R:T212 4.08 7 Yes No 0 4 0 1
L:L:?1 R:R:F272 7.86 7 Yes Yes 0 6 0 1
L:L:?1 R:R:F294 2.25 7 Yes Yes 0 4 0 1
L:L:?1 R:R:V298 2.75 7 Yes Yes 0 6 0 1
L:L:?1 R:R:Y302 5.4 7 Yes Yes 0 7 0 1
R:R:L96 R:R:Y50 7.03 7 Yes Yes 7 7 2 2
R:R:V298 R:R:Y50 2.52 7 Yes Yes 6 7 1 2
R:R:D122 R:R:F92 3.58 7 Yes Yes 6 6 1 2
R:R:F92 R:R:Q126 3.51 7 Yes Yes 6 7 2 1
R:R:F92 R:R:Y302 8.25 7 Yes Yes 6 7 2 1
R:R:L96 R:R:L99 2.77 7 Yes No 7 6 2 1
R:R:L96 R:R:Y302 17.58 7 Yes Yes 7 7 2 1
R:R:L99 R:R:Y302 3.52 7 No Yes 6 7 1 1
R:R:Q102 R:R:S192 5.78 0 No No 5 4 1 2
R:R:C193 R:R:Q102 3.05 9 Yes No 9 5 2 1
R:R:C193 R:R:M119 3.24 9 Yes No 9 5 2 2
R:R:I195 R:R:M119 2.92 0 No No 5 5 1 2
R:R:D122 R:R:G123 1.68 7 Yes No 6 4 1 2
R:R:D122 R:R:Y302 10.34 7 Yes Yes 6 7 1 1
R:R:G123 R:R:Q126 3.29 0 No Yes 4 7 2 1
R:R:Q126 R:R:W269 8.76 0 Yes Yes 7 8 1 2
R:R:F127 R:R:T212 2.59 0 Yes No 6 4 2 1
R:R:A181 R:R:I195 4.87 0 No No 4 5 2 1
R:R:S192 R:R:T194 3.2 0 No No 4 4 2 1
R:R:T212 R:R:Y273 2.5 0 No Yes 4 7 1 2
R:R:W269 R:R:Y273 4.82 5 Yes Yes 8 7 2 2
R:R:T301 R:R:W269 7.28 0 No Yes 7 8 2 2
R:R:F272 R:R:N276 15.71 0 Yes No 6 6 1 2
R:R:F272 R:R:V297 3.93 0 Yes No 6 7 1 2
R:R:F272 R:R:T301 2.59 0 Yes No 6 7 1 2
R:R:F275 R:R:N276 6.04 0 No No 4 6 2 2
R:R:F275 R:R:F294 5.36 0 No Yes 4 4 2 1
R:R:F294 R:R:K291 2.48 7 Yes No 4 3 1 2
R:R:F294 R:R:V298 3.93 7 Yes Yes 4 6 1 1
R:R:V298 R:R:Y302 2.52 7 Yes Yes 6 7 1 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.32
Average Nodes In Shell28.00
Average Hubs In Shell14.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell36.00
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 Links10.50
Average Number Of Links With An Hub5.00
Average Interaction Strength7.58
Average Nodes In Shell27.00
Average Hubs In Shell12.50
Average Links In Shell38.50
Average Links Mediated by Hubs In Shell33.50

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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 🔍)