CodeFWX
Name2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
Synonyms
Identifier
FormulaC22 H29 N5 O2
Molecular Weight395.498
SMILES
PubChem71541719
Formal Charge0
Total Atoms58
Total Chiral Atoms0
Total Bonds60
Total Aromatic Bonds12
Networks4
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This ligand is also present in the following 4 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7CFM A Steroid Bile Acid GPBA Homo Sapiens P395 - Gs/Beta1/Gamma2 3 2020-09-09 10.1038/s41586-020-2569-1

A 2D representation of the interactions of FWX in 7CFM
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:F96 R:R:T64 5.19 0 Yes Yes 6 8 1 2
R:R:A67 R:R:P92 3.74 0 No Yes 7 6 2 1
R:R:L71 R:R:S270 3 0 No No 7 8 1 2
L:L:?1 R:R:L71 12.38 2 Yes No 0 7 0 1
R:R:S247 R:R:W75 3.71 2 No No 5 4 1 1
R:R:L266 R:R:W75 3.42 0 No No 7 4 2 1
L:L:?1 R:R:W75 15.28 2 Yes No 0 4 0 1
R:R:F161 R:R:Y89 4.13 2 Yes Yes 5 5 1 2
L:L:?1 R:R:P92 3.67 2 Yes Yes 0 6 0 1
R:R:L97 R:R:N93 4.12 2 No Yes 7 6 2 2
R:R:F161 R:R:N93 6.04 2 Yes Yes 5 6 1 2
R:R:N93 R:R:Y165 5.81 2 Yes Yes 6 7 2 2
R:R:E169 R:R:N93 11.83 2 Yes Yes 6 6 1 2
R:R:F96 R:R:S270 3.96 0 Yes No 6 8 1 2
R:R:A273 R:R:F96 2.77 0 No Yes 9 6 2 1
L:L:?1 R:R:F96 16.34 2 Yes Yes 0 6 0 1
R:R:E169 R:R:L97 5.3 2 Yes No 6 7 1 2
R:R:L100 R:R:L174 2.77 2 Yes Yes 8 7 2 1
R:R:L100 R:R:W237 5.69 2 Yes Yes 8 8 2 2
R:R:L100 R:R:Y240 4.69 2 Yes Yes 8 7 2 1
R:R:F138 R:R:Y165 12.38 2 No Yes 5 7 2 2
R:R:E169 R:R:F138 7 2 Yes No 6 5 1 2
R:R:F161 R:R:P142 2.89 2 Yes Yes 5 8 1 2
R:R:P142 R:R:Y165 13.91 2 Yes Yes 8 7 2 2
R:R:Q158 R:R:Y251 3.38 0 No No 3 4 2 1
R:R:F161 R:R:Y165 4.13 2 Yes Yes 5 7 1 2
L:L:?1 R:R:F161 5.45 2 Yes Yes 0 5 0 1
R:R:E169 R:R:Y165 5.61 2 Yes Yes 6 7 1 2
R:R:L166 R:R:V170 2.98 2 No Yes 5 4 1 2
R:R:L166 R:R:Y251 8.21 2 No No 5 4 1 1
L:L:?1 R:R:L166 14.45 2 Yes No 0 5 0 1
R:R:E169 R:R:L174 3.98 2 Yes Yes 6 7 1 1
L:L:?1 R:R:E169 10.87 2 Yes Yes 0 6 0 1
R:R:L244 R:R:V170 4.47 0 No Yes 5 4 2 2
R:R:L174 R:R:L244 4.15 2 Yes No 7 5 1 2
L:L:?1 R:R:L174 4.13 2 Yes Yes 0 7 0 1
R:R:W237 R:R:Y240 5.79 2 Yes Yes 8 7 2 1
R:R:L244 R:R:Y240 4.69 0 No Yes 5 7 2 1
R:R:A273 R:R:Y240 9.34 0 No Yes 9 7 2 1
L:L:?1 R:R:Y240 3.5 2 Yes Yes 0 7 0 1
L:L:?1 R:R:S247 7.84 2 Yes No 0 5 0 1
L:L:?1 R:R:Y251 6.12 2 Yes No 0 4 0 1
R:R:A91 R:R:P92 1.87 0 No Yes 3 6 2 1
R:R:P92 R:R:T70 1.75 0 Yes No 6 4 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.09
Average Nodes In Shell30.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell39.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9GYO A Steroid Bile acid GPBA Homo sapiens P395 - chim(NtGi1-Gs)/Beta1/Gamma2 2.5 2024-10-09 To be published

A 2D representation of the interactions of FWX in 9GYO
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:L71 11.06 3 Yes Yes 0 7 0 1
L:L:?1 R:R:L74 4.02 3 Yes Yes 0 5 0 1
L:L:?1 R:R:W75 19.85 3 Yes Yes 0 4 0 1
L:L:?1 R:R:Y89 3.41 3 Yes Yes 0 5 0 1
L:L:?1 R:R:P92 7.15 3 Yes No 0 6 0 1
L:L:?1 R:R:N93 7.98 3 Yes Yes 0 6 0 1
L:L:?1 R:R:F96 23 3 Yes Yes 0 6 0 1
L:L:?1 R:R:S157 3.27 3 Yes No 0 5 0 1
L:L:?1 R:R:F161 5.31 3 Yes Yes 0 5 0 1
L:L:?1 R:R:L166 5.03 3 Yes No 0 5 0 1
L:L:?1 R:R:E169 4.81 3 Yes Yes 0 6 0 1
L:L:?1 R:R:L174 3.02 3 Yes Yes 0 7 0 1
L:L:?1 R:R:Y240 4.26 3 Yes Yes 0 7 0 1
L:L:?1 R:R:L244 5.03 3 Yes No 0 5 0 1
R:R:S95 R:R:T64 4.8 3 No Yes 5 8 2 2
R:R:F96 R:R:T64 11.67 3 Yes Yes 6 8 1 2
R:R:L71 R:R:S270 3 0 Yes No 7 8 1 2
R:R:L74 R:R:V88 4.47 3 Yes No 5 5 1 2
R:R:L74 R:R:Y89 18.76 3 Yes Yes 5 5 1 1
R:R:S247 R:R:W75 3.71 3 No Yes 5 4 2 1
R:R:L263 R:R:W75 4.56 0 No Yes 5 4 2 1
R:R:L266 R:R:W75 4.56 3 Yes Yes 7 4 2 1
R:R:V88 R:R:Y89 3.79 3 No Yes 5 5 2 1
R:R:S157 R:R:Y89 5.09 3 No Yes 5 5 1 1
R:R:I160 R:R:Y89 4.84 3 Yes Yes 5 5 2 1
R:R:F161 R:R:Y89 4.13 3 Yes Yes 5 5 1 1
R:R:L97 R:R:N93 4.12 3 Yes Yes 7 6 2 1
R:R:F161 R:R:N93 6.04 3 Yes Yes 5 6 1 1
R:R:N93 R:R:Y165 3.49 3 Yes Yes 6 7 1 2
R:R:E169 R:R:N93 11.83 3 Yes Yes 6 6 1 1
R:R:F96 R:R:S95 5.28 3 Yes No 6 5 1 2
R:R:F96 R:R:Y240 5.16 3 Yes Yes 6 7 1 1
R:R:F96 R:R:S270 5.28 3 Yes No 6 8 1 2
R:R:E169 R:R:L97 9.28 3 Yes Yes 6 7 1 2
R:R:L100 R:R:L174 4.15 3 Yes Yes 8 7 2 1
R:R:L100 R:R:W237 4.56 3 Yes Yes 8 8 2 2
R:R:L100 R:R:Y240 3.52 3 Yes Yes 8 7 2 1
R:R:F138 R:R:Y165 9.28 3 Yes Yes 5 7 2 2
R:R:E169 R:R:F138 7 3 Yes Yes 6 5 1 2
R:R:Q158 R:R:S157 5.78 0 Yes No 3 5 2 1
R:R:Q158 R:R:Y251 14.65 0 Yes No 3 4 2 2
R:R:F161 R:R:I160 8.79 3 Yes Yes 5 5 1 2
R:R:F161 R:R:Y165 4.13 3 Yes Yes 5 7 1 2
R:R:E169 R:R:Y165 4.49 3 Yes Yes 6 7 1 2
R:R:L166 R:R:Y251 8.21 0 No No 5 4 1 2
R:R:E169 R:R:L174 5.3 3 Yes Yes 6 7 1 1
R:R:L174 R:R:Y240 3.52 3 Yes Yes 7 7 1 1
R:R:L174 R:R:L244 4.15 3 Yes No 7 5 1 1
R:R:W237 R:R:Y240 6.75 3 Yes Yes 8 7 2 1
R:R:A273 R:R:W237 3.89 3 No Yes 9 8 2 2
R:R:L244 R:R:Y240 16.41 3 No Yes 5 7 1 1
R:R:A273 R:R:Y240 6.67 3 No Yes 9 7 2 1
R:R:L266 R:R:S247 6.01 3 Yes No 7 5 2 2
R:R:A250 R:R:W75 2.59 0 No Yes 4 4 2 1
R:R:A67 R:R:P92 1.87 0 No No 7 6 2 1
R:R:A91 R:R:P92 1.87 0 No No 3 6 2 1
R:R:L71 R:R:P72 1.64 0 Yes No 7 6 1 2
R:R:L263 R:R:P72 1.64 0 No No 5 6 2 2
R:R:L71 R:R:T70 1.47 0 Yes No 7 4 1 2
R:R:L74 R:R:T70 1.47 3 Yes No 5 4 1 2
R:R:N76 R:R:W75 1.13 0 No Yes 3 4 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub10.00
Average Interaction Strength7.66
Average Nodes In Shell37.00
Average Hubs In Shell20.00
Average Links In Shell61.00
Average Links Mediated by Hubs In Shell57.00
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 Links12.50
Average Number Of Links With An Hub8.25
Average Interaction Strength8.32
Average Nodes In Shell34.00
Average Hubs In Shell17.75
Average Links In Shell53.25
Average Links Mediated by Hubs In Shell49.25

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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 🔍)