Code41Y
Name2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol
Synonyms
Identifier
FormulaC32 H41 F N2 O2
Molecular Weight504.679
SMILES
PubChem163183774
Formal Charge0
Total Atoms78
Total Chiral Atoms2
Total Bonds81
Total Aromatic Bonds18
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
7RBT B1 Peptide Glucagon GIP Homo Sapiens Tirzepatide LSN3556672 chim(NtGi1-Gs)/Beta1/Gamma2 3.08 2022-04-13 doi.org/10.1073/pnas.2116506119

A 2D representation of the interactions of 41Y in 7RBT
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:G144 R:R:S382 1.86 1 No Yes 8 9 2 2
R:R:F383 R:R:G144 7.53 1 Yes No 6 8 1 2
R:R:F386 R:R:L147 13.4 0 Yes No 5 5 1 2
R:R:F386 R:R:T151 7.78 0 Yes No 5 7 1 2
R:R:F311 R:R:F314 2.14 1 Yes Yes 6 9 1 1
R:R:F311 R:R:I315 5.02 1 Yes No 6 5 1 2
R:R:F311 R:R:V352 5.24 1 Yes Yes 6 6 1 2
R:R:F311 R:R:V355 9.18 1 Yes No 6 5 1 2
R:R:F311 W:W:?1 2.71 1 Yes Yes 6 0 1 0
R:R:F314 R:R:L318 2.44 1 Yes No 9 7 1 2
R:R:F314 R:R:T343 2.59 1 Yes Yes 9 9 1 2
R:R:F314 R:R:L346 6.09 1 Yes Yes 9 9 1 2
R:R:F314 R:R:L350 3.65 1 Yes Yes 9 9 1 2
R:R:F314 R:R:V352 14.42 1 Yes Yes 9 6 1 2
R:R:F314 W:W:?1 1.81 1 Yes Yes 9 0 1 0
R:R:L318 R:R:T343 5.9 1 No Yes 7 9 2 2
R:R:L346 R:R:L350 5.54 1 Yes Yes 9 9 2 2
R:R:P348 R:R:V347 5.3 1 Yes No 9 8 1 1
R:R:V347 R:R:V352 3.21 1 No Yes 8 6 1 2
R:R:V347 W:W:?1 17.7 1 No Yes 8 0 1 0
R:R:L387 R:R:P348 8.21 1 No Yes 6 9 1 1
R:R:P348 R:R:V388 3.53 1 Yes No 9 9 1 2
R:R:P348 W:W:?1 9.76 1 Yes Yes 9 0 1 0
R:R:L350 R:R:V352 2.98 1 Yes Yes 9 6 2 2
R:R:G351 R:R:H353 3.18 1 No Yes 9 8 2 1
R:R:G351 R:R:Q384 3.29 1 No No 9 9 2 1
R:R:E354 R:R:H353 3.69 1 Yes Yes 7 8 2 1
R:R:H353 R:R:L380 9 1 Yes No 8 7 1 1
R:R:H353 R:R:Q384 14.84 1 Yes No 8 9 1 1
R:R:H353 W:W:?1 17.19 1 Yes Yes 8 0 1 0
R:R:E354 R:R:F357 2.33 1 Yes Yes 7 7 2 2
R:R:F357 R:R:V356 9.18 0 Yes No 7 6 2 1
R:R:V356 W:W:?1 5.53 0 No Yes 6 0 1 0
R:R:F357 R:R:L380 2.44 0 Yes No 7 7 2 1
R:R:F379 R:R:F383 12.86 0 No Yes 6 6 2 1
R:R:L380 W:W:?1 15.42 1 No Yes 7 0 1 0
R:R:F383 R:R:S382 6.61 1 Yes Yes 6 9 1 2
R:R:F383 W:W:?1 3.62 1 Yes Yes 6 0 1 0
R:R:Q384 W:W:?1 6.92 1 No Yes 9 0 1 0
R:R:F386 R:R:V390 6.55 0 Yes No 5 5 1 2
R:R:F386 W:W:?1 1.81 0 Yes Yes 5 0 1 0
R:R:L387 R:R:L391 6.92 1 No No 6 7 1 2
R:R:L387 W:W:?1 14.39 1 No Yes 6 0 1 0
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.81
Average Nodes In Shell30.00
Average Hubs In Shell14.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell41.00
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 Links9.50
Average Number Of Links With An Hub4.50
Average Interaction Strength10.06
Average Nodes In Shell24.00
Average Hubs In Shell9.00
Average Links In Shell32.50
Average Links Mediated by Hubs In Shell29.50

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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 🔍)