CodeIUE
Name3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
Synonyms
Identifier3-azanyl-5-chloranyl-~{N}-cyclopropyl-6-methoxy-4-methyl-thieno[2,3-b]pyridine-2-carboxamide
FormulaC13 H14 Cl N3 O2 S
Molecular Weight311.787
SMILESCc1c2c(c(sc2nc(c1Cl)OC)C(=O)NC3CC3)N
PubChem11536903
Formal Charge0
Total Atoms34
Total Chiral Atoms0
Total Bonds36
Total Aromatic Bonds10
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
7TRP A Amine Acetylcholine (muscarinic) M4 Homo sapiens Iperoxo LY2033298 Gi1/Beta1/Gamma2 2.4 2023-05-17 10.2139/ssrn.4034884

A 2D representation of the interactions of IUE in 7TRP
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:Y89 R:R:Y92 3.97 1 Yes No 8 8 1 1
R:R:I93 R:R:Y89 3.63 1 No Yes 7 8 2 1
R:R:W108 R:R:Y89 3.86 1 Yes Yes 7 8 2 1
R:R:S436 R:R:Y89 3.82 0 No Yes 6 8 2 1
R:R:Y439 R:R:Y89 22.84 1 Yes Yes 7 8 1 1
R:R:W440 R:R:Y89 4.82 1 Yes Yes 9 8 2 1
R:R:Y443 R:R:Y89 5.96 1 Yes Yes 9 8 2 1
R:R:Y89 W:W:?1 7.84 1 Yes Yes 8 0 1 0
R:R:W98 R:R:Y92 11.58 1 Yes No 9 8 2 1
R:R:Y92 W:W:?1 18.28 1 No Yes 8 0 1 0
R:R:I93 R:R:W440 3.52 1 No Yes 7 9 2 2
R:R:W108 R:R:W98 13.12 1 Yes Yes 7 9 2 2
R:R:I187 R:R:Y113 8.46 1 Yes Yes 7 9 2 2
R:R:Y113 R:R:Y416 10.92 1 Yes Yes 9 9 2 2
R:R:Y113 R:R:Y439 3.97 1 Yes Yes 9 7 2 1
L:L:?1 R:R:Y113 15.05 1 Yes Yes 0 9 2 2
R:R:F186 R:R:V180 7.87 0 No Yes 4 5 1 2
R:R:F186 R:R:Q184 3.51 0 No No 4 5 1 2
R:R:F186 W:W:?1 27.13 0 No Yes 4 0 1 0
R:R:I187 R:R:L190 4.28 1 Yes No 7 5 2 1
R:R:L190 W:W:?1 3.08 0 No Yes 5 0 1 0
R:R:W435 R:R:Y416 4.82 1 Yes Yes 6 9 1 2
L:L:?1 R:R:Y416 7.53 1 Yes Yes 0 9 2 2
R:R:I430 R:R:M419 4.37 1 Yes Yes 6 7 2 2
R:R:M419 R:R:W435 6.98 1 Yes Yes 7 6 2 1
R:R:I430 R:R:N423 7.08 1 Yes Yes 6 5 2 1
R:R:N423 R:R:W435 9.04 1 Yes Yes 5 6 1 1
R:R:N423 W:W:?1 6.12 1 Yes Yes 5 0 1 0
R:R:I430 R:R:W435 10.57 1 Yes Yes 6 6 2 1
R:R:D432 W:W:?1 6.05 0 No Yes 3 0 1 0
R:R:W435 W:W:?1 33.83 1 Yes Yes 6 0 1 0
R:R:Y439 R:R:Y443 4.96 1 Yes Yes 7 9 1 2
R:R:Y439 W:W:?1 4.35 1 Yes Yes 7 0 1 0
L:L:?1 R:R:Y439 3.34 1 Yes Yes 0 7 2 1
R:R:W440 R:R:Y443 8.68 1 Yes Yes 9 9 2 2
R:R:D432 R:R:T433 2.89 0 No No 3 4 1 2
R:R:N423 R:R:Q427 2.64 1 Yes No 5 3 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub4.00
Average Interaction Strength13.33
Average Nodes In Shell25.00
Average Hubs In Shell16.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell35.00
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 Links8.00
Average Number Of Links With An Hub4.00
Average Interaction Strength13.33
Average Nodes In Shell25.00
Average Hubs In Shell16.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell35.00

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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 🔍)