CodeBQI
Name5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SynonymsADX88178
Identifier
FormulaC12 H12 N6 S
Molecular Weight272.329
SMILES
PubChem46836872
Formal Charge0
Total Atoms31
Total Chiral Atoms0
Total Bonds33
Total Aromatic Bonds16
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
8JD5 C Aminoacid Metabotropic Glutamate mGlu2; mGlu4 Homo Sapiens Glutamate BQI; HZE; PEF Gi1/Beta1/Gamma2 3.6 2023-06-21 10.1038/s41422-023-00830-2

A 2D representation of the interactions of BQI in 8JD5
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:I771 R:R:Y767 13.3 4 Yes Yes 8 9 1 2
R:R:Y767 S:S:I796 2.42 4 Yes No 9 8 2 2
R:R:Y767 S:S:V797 2.52 4 Yes Yes 9 8 2 1
R:R:Y767 W:W:?2 9.17 4 Yes Yes 9 0 2 2
R:R:I771 S:S:I796 4.42 4 Yes No 8 8 1 2
R:R:I771 S:S:A800 1.62 4 Yes No 8 7 1 2
R:R:I771 X:X:?2 3.52 4 Yes Yes 8 0 1 0
R:R:L774 W:W:?2 1.97 0 No Yes 5 0 1 2
R:R:L774 X:X:?2 6.82 0 No Yes 5 0 1 0
R:R:A775 S:S:I804 1.62 0 No Yes 7 7 1 2
R:R:A775 X:X:?2 7.77 0 No Yes 7 0 1 0
R:R:L777 R:R:P778 1.64 4 No Yes 7 8 1 1
R:R:L777 W:W:?1 3.17 4 No Yes 7 0 1 2
R:R:L777 X:X:?2 3.41 4 No Yes 7 0 1 0
R:R:P778 S:S:W587 4.05 4 Yes Yes 8 5 1 1
R:R:P778 S:S:I804 3.39 4 Yes Yes 8 7 1 2
R:R:P778 X:X:?2 9.45 4 Yes Yes 8 0 1 0
R:R:Y781 S:S:W587 4.82 4 No Yes 6 5 2 1
R:R:Y781 W:W:?1 8.06 4 No Yes 6 0 2 2
S:S:W587 S:S:Y816 11.58 4 Yes No 5 5 1 2
S:S:I817 S:S:W587 4.7 4 Yes Yes 5 5 2 1
S:S:W587 X:X:?2 8.42 4 Yes Yes 5 0 1 0
S:S:L590 S:S:P591 1.64 4 Yes Yes 4 8 1 1
S:S:F593 S:S:L590 2.44 0 No Yes 2 4 2 1
S:S:L590 S:S:L594 2.77 4 Yes No 4 4 1 2
S:S:L590 X:X:?2 9.1 4 Yes Yes 4 0 1 0
S:S:P591 S:S:T640 1.75 4 Yes No 8 7 1 2
S:S:P591 S:S:T820 1.75 4 Yes Yes 8 8 1 2
S:S:P591 S:S:T823 3.5 4 Yes No 8 7 1 2
S:S:P591 S:S:V824 5.3 4 Yes No 8 7 1 1
S:S:P591 X:X:?2 5.4 4 Yes Yes 8 0 1 0
S:S:L594 S:S:L828 2.77 0 No Yes 4 6 2 1
S:S:T640 S:S:T823 14.13 4 No No 7 7 2 2
S:S:S825 S:S:V797 1.62 4 Yes Yes 8 8 1 1
S:S:L828 S:S:V797 2.98 4 Yes Yes 6 8 1 1
S:S:V797 X:X:?2 2.45 4 Yes Yes 8 0 1 0
S:S:F801 S:S:W798 8.02 4 No Yes 9 9 2 2
S:S:S825 S:S:W798 2.47 4 Yes Yes 8 9 1 2
S:S:F801 S:S:I804 6.28 4 No Yes 9 7 2 2
S:S:F801 S:S:S825 7.93 4 No Yes 9 8 2 1
S:S:I817 S:S:Y816 4.84 4 Yes No 5 5 2 2
S:S:T820 S:S:T821 1.57 4 Yes No 8 8 2 1
S:S:T821 X:X:?2 3.63 0 No Yes 8 0 1 0
S:S:L828 S:S:V824 2.98 4 Yes No 6 7 1 1
S:S:V824 X:X:?2 12.24 4 No Yes 7 0 1 0
S:S:S825 X:X:?2 6.17 4 Yes Yes 8 0 1 0
S:S:L828 W:W:?2 1.97 4 Yes Yes 6 0 1 2
S:S:L828 X:X:?2 4.55 4 Yes Yes 6 0 1 0
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub8.00
Average Interaction Strength6.38
Average Nodes In Shell30.00
Average Hubs In Shell16.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell47.00
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 Links13.00
Average Number Of Links With An Hub5.50
Average Interaction Strength6.38
Average Nodes In Shell29.00
Average Hubs In Shell12.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell39.50

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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 🔍)