CodeJ9U
Name(8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide
Synonyms
Identifier(8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide
FormulaC21 H21 F2 N5 O
Molecular Weight397.421
SMILESC[C@@H]1c2c(c(cc(n2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C
PubChem155925951
Formal Charge0
Total Atoms50
Total Chiral Atoms1
Total Bonds53
Total Aromatic Bonds17
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
7EPF C Aminoacid Metabotropic glutamate mGlu2; mGlu2 Homo sapiens - NAM597 - 2.7 2021-06-23 10.1038/s41586-021-03641-w

A 2D representation of the interactions of J9U in 7EPF
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:F623 R:R:L639 4.87 0 No No 8 8 2 1
R:R:L639 R:R:M728 4.24 1 No No 8 7 1 1
R:R:L639 W:W:?1 13.04 1 No Yes 8 0 1 0
R:R:G640 R:R:Q690 4.93 0 No Yes 6 9 1 2
R:R:G640 W:W:?1 3.22 0 No Yes 6 0 1 0
R:R:F643 R:R:Y647 7.22 1 Yes Yes 8 6 1 2
R:R:F643 R:R:N735 3.62 1 Yes Yes 8 7 1 1
R:R:F643 R:R:W773 14.03 1 Yes Yes 8 9 1 1
R:R:F643 R:R:V798 5.24 1 Yes No 8 8 1 2
R:R:F643 R:R:S801 5.28 1 Yes No 8 9 1 2
R:R:F643 W:W:?1 13.77 1 Yes Yes 8 0 1 0
R:R:Q690 R:R:S644 8.66 1 Yes No 9 8 2 2
R:R:N735 R:R:S644 5.96 1 Yes No 7 8 1 2
R:R:I739 R:R:Y647 13.3 1 Yes Yes 8 6 2 2
R:R:T769 R:R:Y647 7.49 1 No Yes 8 6 2 2
R:R:W773 R:R:Y647 6.75 1 Yes Yes 9 6 1 2
R:R:Q690 R:R:S731 8.66 1 Yes No 9 7 2 1
R:R:N735 R:R:Q690 5.28 1 Yes Yes 7 9 1 2
R:R:M728 R:R:S731 7.67 1 No No 7 7 1 1
R:R:M728 W:W:?1 15.99 1 No Yes 7 0 1 0
R:R:S731 W:W:?1 2.83 1 No Yes 7 0 1 0
R:R:L732 R:R:V736 2.98 0 No No 8 5 1 2
R:R:L732 W:W:?1 13.91 0 No Yes 8 0 1 0
R:R:N735 W:W:?1 4.31 1 Yes Yes 7 0 1 0
R:R:I739 R:R:T769 4.56 1 Yes No 8 8 2 2
R:R:I739 R:R:W773 9.4 1 Yes Yes 8 9 2 1
R:R:T769 R:R:W773 4.85 1 No Yes 8 9 2 1
R:R:S801 R:R:W773 3.71 1 No Yes 9 9 2 1
R:R:W773 W:W:?1 17.89 1 Yes Yes 9 0 1 0
R:R:F776 R:R:F780 6.43 1 Yes Yes 9 8 2 1
R:R:F776 R:R:S797 11.89 1 Yes No 9 9 2 1
R:R:F780 R:R:Q790 3.51 1 Yes No 8 7 1 2
R:R:F780 R:R:T793 6.49 1 Yes No 8 8 1 2
R:R:F780 R:R:S797 5.28 1 Yes No 8 9 1 1
R:R:F780 W:W:?1 8.42 1 Yes Yes 8 0 1 0
R:R:M794 W:W:?1 9.77 0 No Yes 9 0 1 0
R:R:S797 W:W:?1 7.55 1 No Yes 9 0 1 0
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.06
Average Nodes In Shell24.00
Average Hubs In Shell9.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell33.00
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 Hub4.00
Average Interaction Strength10.06
Average Nodes In Shell24.00
Average Hubs In Shell9.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell33.00

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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 🔍)