CodeSK9
Name(1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Synonyms
Identifier(1~{R})-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
FormulaC18 H20 Cl N O2
Molecular Weight317.81
SMILESCc1cccc(c1)[C@H]2CN(CCc3c2cc(c(c3Cl)O)O)C
PubChem9995976
Formal Charge0
Total Atoms42
Total Chiral Atoms1
Total Bonds44
Total Aromatic Bonds12
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
7JVP A Amine Dopamine D1 Homo sapiens SKF83959 - Gs/Beta1/Gamma2 2.9 2021-02-24 10.1016/j.cell.2021.01.027

A 2D representation of the interactions of SK9 in 7JVP
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:V77 R:R:W99 4.9 1 Yes Yes 8 5 2 2
R:R:D103 R:R:V77 5.84 1 Yes Yes 7 8 1 2
R:R:V77 R:R:W321 6.13 1 Yes Yes 8 7 2 2
R:R:D103 R:R:W99 3.35 1 Yes Yes 7 5 1 2
R:R:D103 R:R:W321 12.28 1 Yes Yes 7 7 1 2
L:L:?1 R:R:D103 13.2 1 Yes Yes 0 7 0 1
R:R:I104 R:R:S155 3.1 0 No No 6 7 1 2
R:R:I104 R:R:Y194 6.04 0 No Yes 6 7 1 2
L:L:?1 R:R:I104 16.02 1 Yes No 0 6 0 1
R:R:S107 R:R:W285 7.41 0 No Yes 7 8 1 2
L:L:?1 R:R:S107 7.87 1 Yes No 0 7 0 1
R:R:S202 R:R:T108 4.8 0 No No 6 6 1 2
R:R:H164 R:R:S188 8.37 1 Yes No 5 5 2 1
R:R:H164 R:R:L190 3.86 1 Yes Yes 5 4 2 1
R:R:H164 R:R:Y194 4.36 1 Yes Yes 5 7 2 2
L:L:?1 R:R:S188 4.49 1 Yes No 0 5 0 1
R:R:L190 R:R:Y194 4.69 1 Yes Yes 4 7 1 2
R:R:L190 R:R:N292 5.49 1 Yes No 4 6 1 1
L:L:?1 R:R:L190 17.61 1 Yes Yes 0 4 0 1
R:R:S198 R:R:Y194 10.17 0 No Yes 7 7 1 2
L:L:?1 R:R:S198 8.99 1 Yes No 0 7 0 1
R:R:F289 R:R:S199 5.28 1 Yes No 7 7 1 2
R:R:N292 R:R:S199 4.47 1 No No 6 7 1 2
L:L:?1 R:R:S202 5.62 1 Yes No 0 6 0 1
R:R:F203 R:R:F289 26.79 0 Yes Yes 8 7 2 1
R:R:F288 R:R:W285 4.01 1 Yes Yes 7 8 1 2
R:R:F289 R:R:W285 7.02 1 Yes Yes 7 8 1 2
R:R:F288 R:R:F289 11.79 1 Yes Yes 7 7 1 1
R:R:F288 R:R:F313 5.36 1 Yes Yes 7 4 1 1
L:L:?1 R:R:F288 12.76 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F289 6.38 1 Yes Yes 0 7 0 1
R:R:L291 R:R:L295 6.92 1 Yes No 5 3 2 2
R:R:F313 R:R:L291 9.74 1 Yes Yes 4 5 1 2
L:L:?1 R:R:N292 7.19 1 Yes No 0 6 0 1
R:R:F313 R:R:L295 3.65 1 Yes No 4 3 1 2
R:R:F313 R:R:V317 6.55 1 Yes No 4 6 1 1
L:L:?1 R:R:F313 4.56 1 Yes Yes 0 4 0 1
R:R:V317 R:R:W321 8.58 1 No Yes 6 7 1 2
L:L:?1 R:R:V317 3.34 1 Yes No 0 6 0 1
L:L:?1 R:R:V100 2.23 1 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength8.48
Average Nodes In Shell26.00
Average Hubs In Shell14.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell37.00
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 Hub5.00
Average Interaction Strength8.48
Average Nodes In Shell26.00
Average Hubs In Shell14.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell37.00

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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 🔍)