CodeM3J
Name6-bromo-N~2~-phenylquinazoline-2,4-diamine
Synonyms
Identifier6-bromanyl-~{N}2-phenyl-quinazoline-2,4-diamine
FormulaC14 H11 Br N4
Molecular Weight315.168
SMILESc1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br
PubChem145998261
Formal Charge0
Total Atoms30
Total Chiral Atoms0
Total Bonds32
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
6OBA A Amine Adrenergic Beta2 Homo sapiens (S)-Alprenolol GTPL11074 - 3.1 2020-03-25 10.1038/s41589-020-0549-2

A 2D representation of the interactions of M3J in 6OBA
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:I121 R:R:P211 10.16 0 No No 7 8 2 1
R:R:E122 R:R:V157 5.7 0 No No 5 7 1 2
R:R:E122 R:R:S161 4.31 0 No No 5 8 1 2
R:R:E122 W:W:?4 17.18 0 No Yes 5 0 1 0
R:R:C125 W:W:?4 11.22 0 No Yes 7 0 1 0
R:R:V129 R:R:V218 6.41 0 No No 6 6 1 2
R:R:V129 W:W:?4 10.54 0 No Yes 6 0 1 0
R:R:V210 W:W:?4 19.32 0 No Yes 5 0 1 0
R:R:P211 W:W:?4 13.55 0 No Yes 8 0 1 0
R:R:I214 W:W:?4 5.05 0 No Yes 6 0 1 0
R:R:V206 W:W:?4 1.76 0 No Yes 4 0 1 0
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub0.00
Average Interaction Strength11.23
Average Nodes In Shell12.00
Average Hubs In Shell1.00
Average Links In Shell11.00
Average Links Mediated by Hubs In Shell7.00
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 Links7.00
Average Number Of Links With An Hub0.00
Average Interaction Strength11.23
Average Nodes In Shell12.00
Average Hubs In Shell1.00
Average Links In Shell11.00
Average Links Mediated by Hubs In Shell7.00

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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 🔍)