CodeO6F
NameN-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
Synonyms
Identifier~{N}-~{tert}-butyl-~{N}-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
FormulaC26 H33 N3 O3 S
Molecular Weight467.624
SMILESCCN(C(=O)c1nc(c-2n1CCc3c2cc(c(c3)OC)OC(C)C)c4cccs4)C(C)(C)C
PubChem67530240
Formal Charge0
Total Atoms66
Total Chiral Atoms0
Total Bonds69
Total Aromatic Bonds16
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
8I2G A Protein Glycoprotein hormone FSH Homo sapiens Glycoprotein hormones alpha chain Compound 716340 Gs/Beta1/Gamma2 2.8  2023-03-29 10.1038/s41467-023-36170-3

A 2D representation of the interactions of O6F in 8I2G
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:I411 R:R:S453 3.1 5 Yes No 7 8 2 1
R:R:H615 R:R:I411 2.65 5 Yes Yes 6 7 1 2
R:R:T449 R:R:Y414 16.23 5 No Yes 8 7 2 2
R:R:I516 R:R:Y414 3.63 5 Yes Yes 8 7 2 2
R:R:L518 R:R:Y414 2.34 5 Yes Yes 8 7 1 2
R:R:L611 R:R:Y414 3.52 5 Yes Yes 7 7 1 2
R:R:L518 R:R:T449 2.95 5 Yes No 8 8 1 2
R:R:V450 R:R:Y511 6.31 5 Yes Yes 8 8 2 2
R:R:P519 R:R:V450 3.53 5 Yes Yes 9 8 1 2
R:R:H615 R:R:S453 8.37 5 Yes No 6 8 1 1
R:R:S453 W:W:?1 5.18 5 No Yes 8 0 1 0
R:R:E454 R:R:F496 7 0 Yes No 8 5 1 2
R:R:E454 R:R:L534 5.3 0 Yes Yes 8 6 1 2
R:R:E454 R:R:N538 11.83 0 Yes No 8 9 1 2
R:R:E454 W:W:?1 2.74 0 Yes Yes 8 0 1 0
R:R:P519 R:R:Y511 8.34 5 Yes Yes 9 8 1 2
R:R:I516 R:R:V514 3.07 5 Yes No 8 8 2 2
R:R:M520 R:R:V514 9.13 5 No No 8 8 1 2
R:R:I516 R:R:L518 5.71 5 Yes Yes 8 8 2 1
R:R:L518 R:R:P519 3.28 5 Yes Yes 8 9 1 1
R:R:L518 R:R:M520 4.24 5 Yes No 8 8 1 1
R:R:L518 R:R:L611 6.92 5 Yes Yes 8 7 1 1
R:R:L518 W:W:?1 15.27 5 Yes Yes 8 0 1 0
R:R:P519 W:W:?1 5.66 5 Yes Yes 9 0 1 0
R:R:M520 W:W:?1 15.59 5 No Yes 8 0 1 0
R:R:I522 R:R:S596 4.64 34 No Yes 6 7 2 1
R:R:S596 R:R:V531 6.46 0 Yes No 7 7 1 2
R:R:M532 R:R:S596 6.13 0 No Yes 6 7 2 1
R:R:A592 R:R:L535 4.73 0 No No 8 8 1 2
R:R:L535 R:R:S596 3 0 No Yes 8 7 2 1
R:R:F614 R:R:I588 2.51 5 Yes No 7 9 2 1
R:R:H615 R:R:I588 3.98 5 Yes No 6 9 1 1
R:R:I588 W:W:?1 7.87 5 No Yes 9 0 1 0
R:R:A592 W:W:?1 7.6 0 No Yes 8 0 1 0
R:R:A595 W:W:?1 8.69 0 No Yes 9 0 1 0
R:R:S596 W:W:?1 3.11 0 Yes Yes 7 0 1 0
R:R:A607 W:W:?1 3.26 0 No Yes 7 0 1 0
R:R:H615 R:R:L611 9 5 Yes Yes 6 7 1 1
R:R:L611 W:W:?1 4.77 5 Yes Yes 7 0 1 0
R:R:H615 R:R:P616 3.05 5 Yes No 6 9 1 2
R:R:H615 W:W:?1 2.66 5 Yes Yes 6 0 1 0
R:R:F353 W:W:?1 1.68 0 No Yes 8 0 1 0
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub6.00
Average Interaction Strength6.47
Average Nodes In Shell30.00
Average Hubs In Shell14.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell40.00
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 Hub6.00
Average Interaction Strength6.47
Average Nodes In Shell30.00
Average Hubs In Shell14.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell40.00

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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 🔍)