CodeFI6
NameN-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide
Synonyms(+/-)-AMG 487
Identifier~{N}-[(1~{R})-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-~{N}-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide
FormulaC32 H28 F3 N5 O4
Molecular Weight603.591
SMILESCCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4cccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F
PubChem24957182
Formal Charge0
Total Atoms72
Total Chiral Atoms1
Total Bonds76
Total Aromatic Bonds24
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
8K2W A Protein Chemokine CXCR3 Homo Sapiens AMG487 - - 3 2023-11-29 10.1038/s41594-023-01175-5

A 2D representation of the interactions of FI6 in 8K2W
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:L56 R:R:Y60 9.38 1 No Yes 5 8 1 1
L:L:?1 R:R:L56 5.88 1 Yes No 0 5 0 1
R:R:L59 R:R:Y60 3.52 0 No Yes 6 8 2 1
R:R:A110 R:R:Y60 2.67 0 No Yes 7 8 2 1
L:L:?1 R:R:Y60 15.78 1 Yes Yes 0 8 0 1
R:R:L102 R:R:Y308 8.21 1 No Yes 6 6 2 1
R:R:T105 R:R:W109 3.64 1 No Yes 7 5 2 1
R:R:T105 R:R:Y308 2.5 1 No Yes 7 6 2 1
R:R:L106 R:R:Y308 4.69 0 No Yes 8 6 2 1
R:R:D112 R:R:W109 3.35 1 No Yes 5 5 2 1
R:R:W109 R:R:W117 8.43 1 Yes Yes 5 9 1 2
R:R:A127 R:R:W109 3.89 0 No Yes 5 5 2 1
R:R:W109 R:R:Y308 4.82 1 Yes Yes 5 6 1 1
L:L:?1 R:R:W109 22.59 1 Yes Yes 0 5 0 1
R:R:D112 R:R:W117 10.05 1 No Yes 5 9 2 2
R:R:F131 R:R:Y271 5.16 1 Yes Yes 5 6 2 2
R:R:F131 R:R:S304 2.64 1 Yes No 5 5 2 1
R:R:F131 R:R:Y308 8.25 1 Yes Yes 5 6 2 1
R:R:S304 R:R:Y271 3.82 1 No Yes 5 6 1 2
R:R:K300 R:R:V274 4.55 0 No No 5 4 1 2
L:L:?1 R:R:K300 4.99 1 Yes No 0 5 0 1
L:L:?1 R:R:S301 15.95 1 Yes No 0 4 0 1
L:L:?1 R:R:S304 8.51 1 Yes No 0 5 0 1
L:L:?1 R:R:Y308 28.23 1 Yes Yes 0 6 0 1
L:L:?1 R:R:G128 2.42 1 Yes No 0 6 0 1
L:L:?1 R:R:G305 2.42 1 Yes No 0 5 0 1
R:R:L56 R:R:P57 1.64 1 No No 5 4 1 2
R:R:V298 R:R:V302 1.6 0 No No 2 6 1 2
L:L:?1 R:R:V298 1.06 1 Yes No 0 2 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.78
Average Nodes In Shell24.00
Average Hubs In Shell7.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell26.00
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 Hub3.00
Average Interaction Strength10.78
Average Nodes In Shell24.00
Average Hubs In Shell7.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell26.00

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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 🔍)