CodeZQY
Name2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine
Synonyms
Identifier2-methoxy-6-propyl-~{N}-[2-[4-(1~{H}-1,2,3,4-tetrazol-5-ylmethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
FormulaC20 H23 N7 O2 S
Molecular Weight425.507
SMILESCCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[nH]nnn4
PubChem11669059
Formal Charge0
Total Atoms53
Total Chiral Atoms0
Total Bonds56
Total Aromatic Bonds21
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
7MTR C Aminoacid Metabotropic glutamate mGlu2; mGlu2 Homo sapiens Glutamate ADX55164 - 3.3 2021-07-07 10.1038/s41586-021-03680-3

A 2D representation of the interactions of ZQY in 7MTR
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:R635 11.76 3 No Yes 8 8 1 2
R:R:F623 R:R:M794 7.46 3 No Yes 8 9 1 1
R:R:F623 W:W:?903 2.93 3 No Yes 8 0 1 0
R:R:C632 R:R:C721 5.46 3 No No 9 9 2 2
R:R:C632 R:R:R724 2.79 3 No Yes 9 8 2 1
R:R:R635 R:R:R724 4.26 0 Yes Yes 8 8 2 1
R:R:Q690 R:R:R636 3.5 3 Yes Yes 9 8 2 1
R:R:R636 R:R:V694 6.54 3 Yes Yes 8 6 1 2
R:R:R636 R:R:W697 17.99 3 Yes Yes 8 7 1 2
R:R:R636 R:R:R724 3.2 3 Yes Yes 8 8 1 1
R:R:R636 R:R:S727 7.91 3 Yes No 8 6 1 2
R:R:M728 R:R:R636 7.44 3 Yes Yes 7 8 1 1
R:R:R636 W:W:?903 1.95 3 Yes Yes 8 0 1 0
R:R:F643 R:R:L639 3.65 3 Yes Yes 8 8 1 1
R:R:L639 R:R:M794 5.65 3 Yes Yes 8 9 1 1
R:R:L639 R:R:V798 2.98 3 Yes No 8 8 1 2
R:R:L639 W:W:?903 15.56 3 Yes Yes 8 0 1 0
R:R:G640 R:R:Q690 3.29 3 No Yes 6 9 2 2
R:R:G640 R:R:S731 1.86 3 No No 6 7 2 1
R:R:F643 R:R:Y647 8.25 3 Yes Yes 8 6 1 2
R:R:F643 R:R:N735 9.67 3 Yes Yes 8 7 1 1
R:R:F643 W:W:?903 30.32 3 Yes Yes 8 0 1 0
R:R:N735 R:R:Y647 2.33 3 Yes Yes 7 6 1 2
R:R:I739 R:R:Y647 14.51 0 No Yes 8 6 1 2
R:R:Q690 R:R:V694 5.73 3 Yes Yes 9 6 2 2
R:R:Q690 R:R:S731 5.78 3 Yes No 9 7 2 1
R:R:Q690 R:R:Y734 4.51 3 Yes No 9 8 2 2
R:R:V694 R:R:W697 3.68 3 Yes Yes 6 7 2 2
R:R:S727 R:R:W697 17.3 3 No Yes 6 7 2 2
R:R:C721 R:R:R724 13.93 3 No Yes 9 8 2 1
R:R:M728 R:R:R724 7.44 3 Yes Yes 7 8 1 1
R:R:R724 W:W:?903 3.9 3 Yes Yes 8 0 1 0
R:R:M728 R:R:S727 3.07 3 Yes No 7 6 1 2
R:R:M728 W:W:?903 4.54 3 Yes Yes 7 0 1 0
R:R:S731 W:W:?903 4.82 3 No Yes 7 0 1 0
R:R:L732 W:W:?903 24.46 0 No Yes 8 0 1 0
R:R:N735 R:R:Y734 2.33 3 Yes No 7 8 1 2
R:R:N735 W:W:?903 7.72 3 Yes Yes 7 0 1 0
R:R:V736 W:W:?903 2.39 0 No Yes 5 0 1 0
R:R:I739 R:R:M766 5.83 0 No Yes 8 9 1 2
R:R:I739 W:W:?903 2.29 0 No Yes 8 0 1 0
R:R:F776 R:R:W773 7.02 3 Yes Yes 9 9 1 1
R:R:M794 R:R:W773 3.49 3 Yes Yes 9 9 1 1
R:R:S797 R:R:W773 18.53 0 No Yes 9 9 2 1
R:R:V798 R:R:W773 4.9 0 No Yes 8 9 2 1
R:R:W773 W:W:?903 11.89 3 Yes Yes 9 0 1 0
R:R:F776 R:R:F780 13.93 3 Yes Yes 9 8 1 1
R:R:F776 R:R:T793 6.49 3 Yes No 9 8 1 2
R:R:F776 W:W:?903 2.93 3 Yes Yes 9 0 1 0
R:R:F780 R:R:Q790 15.23 3 Yes No 8 7 1 2
R:R:F780 R:R:T793 2.59 3 Yes No 8 8 1 2
R:R:F780 W:W:?903 4.89 3 Yes Yes 8 0 1 0
R:R:M794 W:W:?903 7.95 3 Yes Yes 9 0 1 0
R:R:C770 R:R:L774 1.59 0 No No 7 5 1 2
R:R:L729 R:R:L732 1.38 0 No No 5 8 2 1
R:R:C770 W:W:?903 1.27 0 No Yes 7 0 1 0
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub10.00
Average Interaction Strength8.11
Average Nodes In Shell34.00
Average Hubs In Shell17.00
Average Links In Shell56.00
Average Links Mediated by Hubs In Shell52.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7MTS C Aminoacid Metabotropic glutamate mGlu2; mGlu2 Homo sapiens Glutamate ADX55164 Gi1/Beta1/Gamma2 3.2 2021-07-07 10.1038/s41586-021-03680-3

A 2D representation of the interactions of ZQY in 7MTS
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:M619 2.49 5 Yes No 8 7 1 2
R:R:F623 R:R:R635 7.48 5 Yes Yes 8 8 1 2
R:R:F623 R:R:L639 2.44 5 Yes Yes 8 8 1 1
R:R:F623 R:R:M794 2.49 5 Yes No 8 9 1 1
R:R:F623 W:W:?901 6.85 5 Yes Yes 8 0 1 0
R:R:G640 R:R:L639 1.71 5 No Yes 6 8 1 1
R:R:L639 W:W:?901 11.12 5 Yes Yes 8 0 1 0
R:R:G640 R:R:S731 1.86 5 No No 6 7 1 1
R:R:G640 W:W:?901 5.49 5 No Yes 6 0 1 0
R:R:F643 R:R:Y647 7.22 5 Yes Yes 8 6 1 2
R:R:F643 R:R:N735 3.62 5 Yes Yes 8 7 1 1
R:R:F643 R:R:W773 2 5 Yes Yes 8 9 1 1
R:R:F643 R:R:S801 6.61 5 Yes No 8 9 1 2
R:R:F643 W:W:?901 13.69 5 Yes Yes 8 0 1 0
R:R:N735 R:R:Y647 2.33 5 Yes Yes 7 6 1 2
R:R:I739 R:R:Y647 8.46 5 No Yes 8 6 1 2
R:R:M766 R:R:Y647 2.39 5 No Yes 9 6 2 2
R:R:T769 R:R:Y647 2.5 0 No Yes 8 6 2 2
R:R:Q690 R:R:S731 10.11 5 Yes No 9 7 2 1
R:R:N735 R:R:Q690 3.96 5 Yes Yes 7 9 1 2
R:R:R720 R:R:R724 6.4 0 No No 6 8 2 1
R:R:R724 W:W:?901 9.76 0 No Yes 8 0 1 0
R:R:M728 W:W:?901 12.49 0 No Yes 7 0 1 0
R:R:S731 W:W:?901 4.82 5 No Yes 7 0 1 0
R:R:L732 W:W:?901 6.67 0 No Yes 8 0 1 0
R:R:N735 W:W:?901 7.72 5 Yes Yes 7 0 1 0
R:R:I739 R:R:M766 5.83 5 No No 8 9 1 2
R:R:I739 W:W:?901 3.44 5 No Yes 8 0 1 0
R:R:T769 R:R:W773 2.43 0 No Yes 8 9 2 1
R:R:S801 R:R:T769 3.2 0 No No 9 8 2 2
R:R:F776 R:R:W773 9.02 5 Yes Yes 9 9 1 1
R:R:S797 R:R:W773 3.71 5 No Yes 9 9 2 1
R:R:W773 W:W:?901 10.06 5 Yes Yes 9 0 1 0
R:R:F776 R:R:F780 8.57 5 Yes No 9 8 1 1
R:R:F776 R:R:S797 3.96 5 Yes No 9 9 1 2
R:R:F776 W:W:?901 2.93 5 Yes Yes 9 0 1 0
R:R:F780 R:R:Q790 15.23 5 No No 8 7 1 2
R:R:F780 W:W:?901 5.87 5 No Yes 8 0 1 0
R:R:M794 W:W:?901 13.63 5 No Yes 9 0 1 0
R:R:L639 R:R:V798 1.49 5 Yes No 8 8 1 2
R:R:L732 R:R:V736 1.49 0 No No 8 5 1 2
R:R:C770 W:W:?901 1.27 0 No Yes 7 0 1 0
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.72
Average Nodes In Shell28.00
Average Hubs In Shell10.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell36.00
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 Links15.50
Average Number Of Links With An Hub8.00
Average Interaction Strength7.92
Average Nodes In Shell31.00
Average Hubs In Shell13.50
Average Links In Shell49.00
Average Links Mediated by Hubs In Shell44.00

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 🔍)