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
Identifier2-fluoranyl-4-[(1~{R})-6-methoxy-1-methyl-2-[(1~{S})-1-(4-propan-2-ylphenyl)ethyl]-3,4-dihydro-1~{H}-isoquinolin-5-yl]-6-(2-methylpropylamino)phenol
FormulaC32 H41 F N2 O2
Molecular Weight504.679
SMILESC[C@@H]1c2ccc(c(c2CCN1[C@@H](C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC
PubChem163183774
Formal Charge0
Total Atoms78
Total Chiral Atoms2
Total Bonds81
Total Aromatic Bonds18
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
7RBT B1 Peptide Glucagon GIP Homo sapiens Tirzepatide PubChem 163183774 chim(NtGi1-Gs)/Beta1/Gamma2 3.08 2022-04-13 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 2 No Yes 8 9 2 2
R:R:F383 R:R:G144 7.53 2 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 2 Yes Yes 6 9 1 1
R:R:F311 R:R:I315 5.02 2 Yes No 6 5 1 2
R:R:F311 R:R:V352 5.24 2 Yes Yes 6 6 1 2
R:R:F311 R:R:V355 9.18 2 Yes No 6 5 1 2
R:R:F311 W:W:?1 2.71 2 Yes Yes 6 0 1 0
R:R:F314 R:R:L318 2.44 2 Yes No 9 7 1 2
R:R:F314 R:R:T343 2.59 2 Yes Yes 9 9 1 2
R:R:F314 R:R:L346 6.09 2 Yes Yes 9 9 1 2
R:R:F314 R:R:L350 3.65 2 Yes Yes 9 9 1 2
R:R:F314 R:R:V352 14.42 2 Yes Yes 9 6 1 2
R:R:F314 W:W:?1 1.81 2 Yes Yes 9 0 1 0
R:R:L318 R:R:T343 5.9 2 No Yes 7 9 2 2
R:R:L346 R:R:L350 5.54 2 Yes Yes 9 9 2 2
R:R:P348 R:R:V347 5.3 2 Yes No 9 8 1 1
R:R:V347 R:R:V352 3.21 2 No Yes 8 6 1 2
R:R:V347 W:W:?1 17.7 2 No Yes 8 0 1 0
R:R:L387 R:R:P348 8.21 2 No Yes 6 9 1 1
R:R:P348 R:R:V388 3.53 2 Yes No 9 9 1 2
R:R:L391 R:R:P348 1.64 2 Yes Yes 7 9 2 1
R:R:P348 W:W:?1 9.76 2 Yes Yes 9 0 1 0
R:R:L350 R:R:V352 2.98 2 Yes Yes 9 6 2 2
R:R:G351 R:R:H353 3.18 2 No Yes 9 8 2 1
R:R:G351 R:R:Q384 3.29 2 No Yes 9 9 2 1
R:R:E354 R:R:H353 3.69 2 Yes Yes 7 8 2 1
R:R:H353 R:R:L380 9 2 Yes No 8 7 1 1
R:R:H353 R:R:Q384 14.84 2 Yes Yes 8 9 1 1
R:R:H353 W:W:?1 17.19 2 Yes Yes 8 0 1 0
R:R:E354 R:R:F357 2.33 2 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 2 No Yes 7 0 1 0
R:R:F383 R:R:S382 6.61 2 Yes Yes 6 9 1 2
R:R:F383 W:W:?1 3.62 2 Yes Yes 6 0 1 0
R:R:G385 R:R:Q384 1.64 2 Yes Yes 9 9 2 1
R:R:Q384 W:W:?1 6.92 2 Yes 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 2 No Yes 6 7 1 2
R:R:L387 W:W:?1 14.39 2 No Yes 6 0 1 0
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.81
Average Nodes In Shell31.00
Average Hubs In Shell17.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell45.00
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 Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.81
Average Nodes In Shell31.00
Average Hubs In Shell17.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell45.00

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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 🔍)