CodeG3O
Name(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol
Synonyms
Identifier(1~{R},3~{S})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol
FormulaC20 H27 N O3
Molecular Weight329.433
SMILESc1cc(c(c2c1[C@@H](O[C@@H](C2)C34CC5CC(C3)CC(C5)C4)CN)O)O
PubChem
Formal Charge0
Total Atoms51
Total Chiral Atoms2
Total Bonds55
Total Aromatic Bonds6
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
7CKX A Amine Dopamine D1 Homo sapiens A77636 - Gs/Beta1/Gamma2 3.54 2021-03-03 10.1016/j.cell.2021.01.028

A 2D representation of the interactions of G3O in 7CKX
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:D103 R:R:V77 7.3 2 Yes No 7 8 1 2
R:R:V77 R:R:W321 4.9 2 No Yes 8 7 2 2
L:L:?1 R:R:V100 8.72 2 Yes No 0 5 0 1
R:R:D103 R:R:S107 4.42 2 Yes No 7 7 1 1
R:R:D103 R:R:W321 13.4 2 Yes Yes 7 7 1 2
L:L:?1 R:R:D103 15.88 2 Yes Yes 0 7 0 1
R:R:I104 R:R:S155 6.19 0 No No 6 7 1 2
L:L:?1 R:R:I104 10.44 2 Yes No 0 6 0 1
R:R:S107 R:R:W285 4.94 2 No Yes 7 8 1 2
L:L:?1 R:R:S107 10.98 2 Yes No 0 7 0 1
R:R:I154 R:R:T108 4.56 0 No No 5 6 2 2
R:R:S202 R:R:T108 6.4 0 No No 6 6 1 2
R:R:I154 R:R:S198 4.64 0 No No 5 7 2 1
L:L:?1 R:R:S188 13.18 2 Yes No 0 5 0 1
R:R:A195 R:R:L190 4.73 0 No No 5 4 2 1
L:L:?1 R:R:L190 9.11 2 Yes No 0 4 0 1
R:R:S198 R:R:Y194 8.9 0 No Yes 7 7 1 2
L:L:?1 R:R:S198 7.69 2 Yes No 0 7 0 1
R:R:F289 R:R:S199 7.93 2 Yes No 7 7 1 2
L:L:?1 R:R:S202 5.49 2 Yes No 0 6 0 1
R:R:F203 R:R:F289 27.86 0 Yes Yes 8 7 2 1
R:R:F289 R:R:W285 7.02 2 Yes Yes 7 8 1 2
R:R:F288 R:R:F289 12.86 2 Yes Yes 7 7 1 1
R:R:F288 R:R:N292 8.46 2 Yes No 7 6 1 1
R:R:F288 R:R:F313 6.43 2 Yes Yes 7 4 1 1
R:R:F288 R:R:V317 6.55 2 Yes No 7 6 1 2
L:L:?1 R:R:F288 10.69 2 Yes Yes 0 7 0 1
L:L:?1 R:R:F289 8.02 2 Yes Yes 0 7 0 1
R:R:F313 R:R:N292 7.25 2 Yes No 4 6 1 1
L:L:?1 R:R:N292 8.04 2 Yes No 0 6 0 1
R:R:I308 R:R:L295 5.71 2 Yes No 4 3 2 2
R:R:F313 R:R:L295 7.31 2 Yes No 4 3 1 2
R:R:F313 R:R:I308 5.02 2 Yes Yes 4 4 1 2
L:L:?1 R:R:F313 4.45 2 Yes Yes 0 4 0 1
R:R:V317 R:R:W321 11.03 0 No Yes 6 7 2 2
R:R:H164 R:R:L190 2.57 0 No No 5 4 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.39
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell30.00
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 Links12.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.39
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell30.00

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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 🔍)