Code1Q5
Name3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
Synonyms
Identifier3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
FormulaC21 H30 N2 O
Molecular Weight326.476
SMILESCCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C
PubChem9862166
Formal Charge0
Total Atoms54
Total Chiral Atoms0
Total Bonds55
Total Aromatic Bonds12
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
4K5Y B1 Peptide Corticotropin Releasing Factor CRF1 Homo sapiens - CP-376395 - 2.98 2013-07-17 10.1038/nature12357

A 2D representation of the interactions of 1Q5 in 4K5Y
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:L158 R:R:M206 7.07 0 No No 8 9 2 1
R:R:H199 R:R:M276 7.88 0 No No 5 7 2 2
R:R:H199 R:R:Y327 7.62 0 No Yes 5 8 2 1
R:R:F203 R:R:M276 16.17 4 No No 8 7 1 2
R:R:F203 R:R:Y327 9.28 4 No Yes 8 8 1 1
R:R:F203 W:W:?1 9.58 4 No Yes 8 0 1 0
R:R:M206 W:W:?1 14.83 0 No Yes 9 0 1 0
R:R:F284 R:R:L280 9.74 0 No No 4 6 2 1
R:R:L280 W:W:?1 6.35 0 No Yes 6 0 1 0
R:R:N283 W:W:?1 27.91 0 No Yes 9 0 1 0
R:R:F284 R:R:L320 7.31 0 No No 4 7 2 1
R:R:T316 W:W:?1 14.5 0 No Yes 7 0 1 0
R:R:L319 R:R:L323 8.3 0 No Yes 9 8 2 1
R:R:L320 W:W:?1 5.45 0 No Yes 7 0 1 0
R:R:L323 R:R:Q355 7.99 0 Yes No 8 9 1 2
R:R:L323 W:W:?1 12.71 0 Yes Yes 8 0 1 0
R:R:Q355 R:R:Y327 7.89 0 No Yes 9 8 2 1
R:R:Y327 W:W:?1 6.15 4 Yes Yes 8 0 1 0
R:R:L287 W:W:?1 3.63 0 No Yes 7 0 1 0
R:R:G210 R:R:N283 3.39 0 No No 7 9 2 1
R:R:L320 R:R:P321 3.28 0 No No 7 7 1 2
R:R:G324 R:R:L323 1.71 0 No Yes 9 8 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub2.00
Average Interaction Strength11.23
Average Nodes In Shell19.00
Average Hubs In Shell3.00
Average Links In Shell22.00
Average Links Mediated by Hubs In Shell15.00
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
4Z9G B1 Peptide Corticotropin Releasing Factor CRF1 Homo sapiens - CP-376395 - 3.18 2016-06-29 10.2174/1874467210666170110114727

A 2D representation of the interactions of 1Q5 in 4Z9G
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:L158 R:R:M206 7.07 0 No No 8 9 2 1
R:R:H199 R:R:M276 3.94 0 No No 5 7 2 2
R:R:H199 R:R:Y327 10.89 0 No No 5 8 2 1
R:R:F203 R:R:M276 14.93 3 No No 8 7 1 2
R:R:F203 R:R:Y327 7.22 3 No No 8 8 1 1
R:R:F203 W:W:?4 9.58 3 No Yes 8 0 1 0
R:R:M206 W:W:?4 6.49 0 No Yes 9 0 1 0
R:R:G210 R:R:N283 5.09 3 No No 7 9 1 1
R:R:G210 W:W:?4 4.49 3 No Yes 7 0 1 0
R:R:L280 W:W:?4 8.17 0 No Yes 6 0 1 0
R:R:N283 W:W:?4 33.32 3 No Yes 9 0 1 0
R:R:F284 R:R:L320 6.09 0 No No 4 7 2 1
R:R:L287 W:W:?4 9.08 0 No Yes 7 0 1 0
R:R:T316 W:W:?4 8.7 0 No Yes 7 0 1 0
R:R:L319 R:R:L323 11.07 0 No No 9 8 2 1
R:R:L320 W:W:?4 7.26 0 No Yes 7 0 1 0
R:R:L323 R:R:Q355 3.99 0 No No 8 9 1 2
R:R:L323 W:W:?4 10.89 0 No Yes 8 0 1 0
R:R:Y327 W:W:?4 3.84 3 No Yes 8 0 1 0
R:R:L320 R:R:P321 3.28 0 No No 7 7 1 2
R:R:G324 W:W:?4 2.24 0 No Yes 9 0 1 0
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub0.00
Average Interaction Strength9.46
Average Nodes In Shell19.00
Average Hubs In Shell1.00
Average Links In Shell21.00
Average Links Mediated by Hubs In Shell11.00
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 Links10.00
Average Number Of Links With An Hub1.00
Average Interaction Strength10.35
Average Nodes In Shell19.00
Average Hubs In Shell2.00
Average Links In Shell21.50
Average Links Mediated by Hubs In Shell13.00

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 🔍)