CodeCGZ
NameN-[(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
Synonyms
Identifier~{N}-[(5~{S})-5-(4,5-dihydro-1~{H}-imidazol-2-yl)-2-oxidanyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
FormulaC14 H19 N3 O3 S
Molecular Weight309.384
SMILESCS(=O)(=O)Nc1c(ccc2c1CCC[C@@H]2C3=NCCN3)O
PubChem10804826
Formal Charge0
Total Atoms40
Total Chiral Atoms1
Total Bonds42
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
8THK A Amine Adrenergic Alpha1A Homo Sapiens A61603 - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 2.6 2023-08-16 10.1038/s41467-023-40524-2

A 2D representation of the interactions of CGZ in 8THK
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:D106 R:R:V79 8.76 1 No Yes 7 8 1 2
R:R:V79 R:R:Y316 3.79 1 Yes Yes 8 7 2 1
R:R:L80 R:R:S83 4.5 1 Yes No 8 7 2 2
R:R:L80 R:R:Y316 7.03 1 Yes Yes 8 7 2 1
R:R:S83 R:R:Y316 7.63 1 No Yes 7 7 2 1
R:R:D106 R:R:Y316 9.2 1 No Yes 7 7 1 1
L:L:?1 R:R:D106 12.67 1 Yes No 0 7 0 1
R:R:S158 R:R:V107 6.46 0 No No 8 6 2 1
R:R:V107 R:R:Y184 3.79 0 No Yes 6 8 1 2
L:L:?1 R:R:V107 12.84 1 Yes No 0 6 0 1
R:R:C110 R:R:W285 5.22 1 No Yes 6 8 1 1
L:L:?1 R:R:C110 7.98 1 Yes No 0 6 0 1
R:R:S192 R:R:T111 7.99 1 No No 6 7 1 2
R:R:F281 R:R:I114 3.77 1 Yes No 9 8 2 2
R:R:I114 R:R:W285 10.57 1 No Yes 8 8 2 1
R:R:S188 R:R:Y184 8.9 0 No Yes 7 8 1 2
L:L:?1 R:R:S188 12.94 1 Yes No 0 7 0 1
R:R:F289 R:R:S192 5.28 1 Yes No 7 6 1 1
L:L:?1 R:R:S192 4.31 1 Yes No 0 6 0 1
R:R:F193 R:R:F281 6.43 1 Yes Yes 8 9 2 2
R:R:F193 R:R:W285 5.01 1 Yes Yes 8 8 2 1
R:R:F193 R:R:F289 20.36 1 Yes Yes 8 7 2 1
R:R:F281 R:R:W285 7.02 1 Yes Yes 9 8 2 1
R:R:F289 R:R:W285 6.01 1 Yes Yes 7 8 1 1
R:R:G315 R:R:W285 8.44 0 No Yes 7 8 2 1
R:R:N318 R:R:W285 10.17 0 No Yes 9 8 2 1
L:L:?1 R:R:W285 4.91 1 Yes Yes 0 8 0 1
R:R:F288 R:R:M292 3.73 1 Yes Yes 7 7 1 2
R:R:F288 R:R:V311 5.24 1 Yes No 7 5 1 2
R:R:F288 R:R:F312 7.5 1 Yes No 7 6 1 1
L:L:?1 R:R:F288 18.37 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F289 7.87 1 Yes Yes 0 7 0 1
R:R:F312 R:R:Y316 7.22 1 No Yes 6 7 1 1
L:L:?1 R:R:F312 15.75 1 Yes No 0 6 0 1
R:R:W313 R:R:Y316 11.58 0 No Yes 6 7 2 1
L:L:?1 R:R:Y316 8.42 1 Yes Yes 0 7 0 1
R:R:I157 R:R:S188 3.1 0 No No 6 7 2 1
R:R:A189 R:R:F289 2.77 0 No Yes 7 7 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.61
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell38.00
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 Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.61
Average Nodes In Shell27.00
Average Hubs In Shell11.00
Average Links In Shell38.00
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 🔍)