CodeBQI
Name5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SynonymsADX88178
Identifier5-methyl-~{N}-(4-methylpyrimidin-2-yl)-4-(1~{H}-pyrazol-4-yl)-1,3-thiazol-2-amine
FormulaC12 H12 N6 S
Molecular Weight272.329
SMILESCc1ccnc(n1)Nc2nc(c(s2)C)c3c[nH]nc3
PubChem46836872
Formal Charge0
Total Atoms31
Total Chiral Atoms0
Total Bonds33
Total Aromatic Bonds16
Networks1
 missing image

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
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 3 Yes Yes 8 9 1 2
R:R:Y767 S:S:I796 2.42 3 Yes No 9 8 2 2
R:R:Y767 S:S:V797 2.52 3 Yes No 9 8 2 1
R:R:Y767 W:W:?2 9.13 3 Yes Yes 9 0 2 2
R:R:I771 S:S:I796 4.42 3 Yes No 8 8 1 2
R:R:I771 X:X:?2 3.53 3 Yes Yes 8 0 1 0
R:R:L774 W:W:?2 1.96 0 No Yes 5 0 1 2
R:R:L774 X:X:?2 6.86 0 No Yes 5 0 1 0
R:R:A775 X:X:?2 7.8 0 No Yes 7 0 1 0
R:R:L777 W:W:?1 3.25 0 No Yes 7 0 1 2
R:R:L777 X:X:?2 3.43 0 No Yes 7 0 1 0
R:R:P778 S:S:W587 4.05 3 No Yes 8 5 1 1
R:R:P778 S:S:I804 3.39 3 No No 8 7 1 2
R:R:P778 X:X:?2 9.49 3 No Yes 8 0 1 0
R:R:Y781 S:S:W587 4.82 3 Yes Yes 6 5 2 1
R:R:Y781 W:W:?1 8.26 3 Yes Yes 6 0 2 2
S:S:W587 S:S:Y816 11.58 3 Yes No 5 5 1 2
S:S:I817 S:S:W587 4.7 3 No Yes 5 5 2 1
S:S:W587 X:X:?2 8.46 3 Yes Yes 5 0 1 0
S:S:F593 S:S:L590 2.44 0 No No 2 4 2 1
S:S:L590 S:S:L594 2.77 0 No No 4 4 1 2
S:S:L590 X:X:?2 9.14 0 No Yes 4 0 1 0
S:S:P591 S:S:T823 3.5 3 No No 8 7 1 2
S:S:P591 S:S:V824 5.3 3 No No 8 7 1 1
S:S:P591 X:X:?2 5.42 3 No Yes 8 0 1 0
S:S:L594 S:S:L828 2.77 0 No Yes 4 6 2 1
S:S:L828 S:S:V797 2.98 3 Yes No 6 8 1 1
S:S:V797 X:X:?2 2.46 3 No Yes 8 0 1 0
S:S:F801 S:S:W798 8.02 3 No Yes 9 9 2 2
S:S:S825 S:S:W798 2.47 3 No Yes 8 9 1 2
S:S:F801 S:S:I804 6.28 3 No No 9 7 2 2
S:S:F801 S:S:S825 7.93 3 No No 9 8 2 1
S:S:I817 S:S:Y816 4.84 3 No No 5 5 2 2
S:S:T821 X:X:?2 3.65 0 No Yes 8 0 1 0
S:S:L828 S:S:V824 2.98 3 Yes No 6 7 1 1
S:S:V824 X:X:?2 12.3 3 No Yes 7 0 1 0
S:S:S825 X:X:?2 6.2 3 No Yes 8 0 1 0
S:S:L828 W:W:?2 1.96 3 Yes Yes 6 0 1 2
S:S:L828 X:X:?2 4.57 3 Yes Yes 6 0 1 0
R:R:I771 S:S:A800 1.62 3 Yes No 8 7 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub3.00
Average Interaction Strength6.41
Average Nodes In Shell28.00
Average Hubs In Shell9.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell32.00
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 Hub3.00
Average Interaction Strength6.41
Average Nodes In Shell28.00
Average Hubs In Shell9.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell32.00

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 🔍)