CodeSK0
Name(1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Synonyms
Identifier(1~{R})-6-chloranyl-1-phenyl-2,3,4,5-tetrahydro-1~{H}-3-benzazepine-7,8-diol
FormulaC16 H16 Cl N O2
Molecular Weight289.757
SMILESc1ccc(cc1)[C@H]2CNCCc3c2cc(c(c3Cl)O)O
PubChem12668019
Formal Charge0
Total Atoms36
Total Chiral Atoms1
Total Bonds38
Total Aromatic Bonds12
Networks2
 missing image

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
7JV5 A Amine Dopamine D1 Homo sapiens SKF81297 - Gs/Beta1/Gamma2 3 2021-02-24 10.1016/j.cell.2021.01.027

A 2D representation of the interactions of SK0 in 7JV5
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 13.15 1 Yes Yes 7 8 1 2
R:R:V77 R:R:W321 8.58 1 Yes Yes 8 7 2 2
R:R:V100 R:R:W99 2.45 1 Yes Yes 5 5 1 2
R:R:W321 R:R:W99 3.75 1 Yes Yes 7 5 2 2
R:R:I104 R:R:V100 3.07 1 Yes Yes 6 5 1 1
R:R:V100 R:R:V159 4.81 1 Yes Yes 5 5 1 2
R:R:H164 R:R:V100 2.77 1 Yes Yes 5 5 2 1
L:L:?1 R:R:V100 2.36 1 Yes Yes 0 5 0 1
R:R:D103 R:R:S107 4.42 1 Yes No 7 7 1 1
R:R:D103 R:R:W321 12.28 1 Yes Yes 7 7 1 2
L:L:?1 R:R:D103 8.59 1 Yes Yes 0 7 0 1
R:R:I104 R:R:S155 3.1 1 Yes No 6 7 1 2
R:R:I104 R:R:Y194 7.25 1 Yes Yes 6 7 1 2
L:L:?1 R:R:I104 3.39 1 Yes Yes 0 6 0 1
R:R:S107 R:R:W285 2.47 1 No Yes 7 8 1 2
L:L:?1 R:R:S107 7.13 1 Yes No 0 7 0 1
R:R:I154 R:R:T108 3.04 0 Yes Yes 5 6 2 2
R:R:S202 R:R:T108 6.4 1 No Yes 6 6 1 2
R:R:I154 R:R:S198 3.1 0 Yes No 5 7 2 1
R:R:H164 R:R:V159 9.69 1 Yes Yes 5 5 2 2
R:R:H164 R:R:K165 2.62 1 Yes No 5 3 2 2
R:R:H164 R:R:L190 5.14 1 Yes No 5 4 2 1
R:R:H164 R:R:Y194 5.44 1 Yes Yes 5 7 2 2
R:R:K165 R:R:S188 3.06 0 No No 3 5 2 1
L:L:?1 R:R:S188 2.38 1 Yes No 0 5 0 1
R:R:L190 R:R:Y194 2.34 1 No Yes 4 7 1 2
L:L:?1 R:R:L190 16.42 1 Yes No 0 4 0 1
R:R:S198 R:R:Y194 11.45 0 No Yes 7 7 1 2
L:L:?1 R:R:S198 7.13 1 Yes No 0 7 0 1
R:R:F289 R:R:S199 5.28 1 Yes Yes 7 7 1 1
R:R:N292 R:R:S199 7.45 1 Yes Yes 6 7 1 1
R:R:C293 R:R:S199 3.44 0 No Yes 6 7 2 1
L:L:?1 R:R:S199 4.75 1 Yes Yes 0 7 0 1
R:R:F289 R:R:S202 5.28 1 Yes No 7 6 1 1
L:L:?1 R:R:S202 3.56 1 Yes No 0 6 0 1
R:R:F203 R:R:W285 2 1 Yes Yes 8 8 2 2
R:R:F203 R:R:F289 19.29 1 Yes Yes 8 7 2 1
R:R:F288 R:R:W285 2 1 Yes Yes 7 8 1 2
R:R:F289 R:R:W285 6.01 1 Yes Yes 7 8 1 2
R:R:F288 R:R:F289 5.36 1 Yes Yes 7 7 1 1
R:R:F288 R:R:N292 8.46 1 Yes Yes 7 6 1 1
R:R:F288 R:R:F313 6.43 1 Yes Yes 7 4 1 1
R:R:F288 R:R:V317 3.93 1 Yes No 7 6 1 2
L:L:?1 R:R:F288 16.38 1 Yes Yes 0 7 0 1
R:R:F289 R:R:N292 2.42 1 Yes Yes 7 6 1 1
L:L:?1 R:R:F289 5.78 1 Yes Yes 0 7 0 1
R:R:F313 R:R:L291 2.44 1 Yes No 4 5 1 2
L:L:?1 R:R:N292 9.77 1 Yes Yes 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 3.93 1 Yes No 4 6 1 2
L:L:?1 R:R:F313 3.85 1 Yes Yes 0 4 0 1
R:R:V317 R:R:W321 7.36 1 No Yes 6 7 2 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub8.00
Average Interaction Strength7.04
Average Nodes In Shell30.00
Average Hubs In Shell19.00
Average Links In Shell53.00
Average Links Mediated by Hubs In Shell52.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7LJC A Amine Dopamine D1 Homo sapiens PubChem 86764103 Mevidalen Gs/Beta1/Gamma2 3 2021-03-03 10.1038/s41422-021-00482-0

A 2D representation of the interactions of SK0 in 7LJC
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:M78 R:R:V73 3.04 1 Yes No 7 8 2 2
R:R:V73 R:R:W321 3.68 1 No Yes 8 7 2 1
R:R:V77 R:R:W99 7.36 1 No Yes 8 5 2 2
R:R:D103 R:R:V77 4.38 1 Yes No 7 8 1 2
R:R:V77 R:R:W321 4.9 1 No Yes 8 7 2 1
R:R:M78 R:R:W318 4.65 1 Yes Yes 7 5 2 2
R:R:M78 R:R:W321 6.98 1 Yes Yes 7 7 2 1
R:R:K81 R:R:W99 11.6 1 Yes Yes 6 5 2 2
R:R:K81 R:R:W318 5.8 1 Yes Yes 6 5 2 2
R:R:K81 R:R:W321 5.8 1 Yes Yes 6 7 2 1
R:R:D103 R:R:W99 6.7 1 Yes Yes 7 5 1 2
R:R:W321 R:R:W99 3.75 1 Yes Yes 7 5 1 2
R:R:I104 R:R:V100 3.07 0 Yes No 6 5 1 2
R:R:D103 R:R:W321 13.4 1 Yes Yes 7 7 1 1
L:L:?1 R:R:D103 18.25 1 Yes Yes 0 7 0 1
R:R:I104 R:R:S155 3.1 0 Yes No 6 7 1 2
R:R:I104 R:R:Y194 8.46 0 Yes Yes 6 7 1 2
L:L:?1 R:R:I104 6.77 1 Yes Yes 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 7.13 1 Yes No 0 7 0 1
R:R:S202 R:R:T108 9.59 1 No No 6 6 1 2
R:R:I111 R:R:W285 16.44 1 No Yes 8 8 2 2
R:R:F289 R:R:I111 2.51 1 Yes No 7 8 1 2
R:R:I154 R:R:Y194 3.63 1 Yes Yes 5 7 2 2
R:R:I154 R:R:S198 3.1 1 Yes No 5 7 2 1
R:R:H164 R:R:L190 3.86 0 Yes No 5 4 2 1
R:R:H164 R:R:Y194 4.36 0 Yes Yes 5 7 2 2
R:R:L190 R:R:N292 4.12 1 No Yes 4 6 1 1
L:L:?1 R:R:L190 15.33 1 Yes No 0 4 0 1
R:R:S198 R:R:Y194 10.17 1 No Yes 7 7 1 2
L:L:?1 R:R:S198 10.69 1 Yes No 0 7 0 1
R:R:S199 R:R:Y204 2.54 1 Yes Yes 7 5 2 2
R:R:F289 R:R:S199 5.28 1 Yes Yes 7 7 1 2
R:R:N292 R:R:S199 4.47 1 Yes Yes 6 7 1 2
R:R:F289 R:R:S202 5.28 1 Yes No 7 6 1 1
L:L:?1 R:R:S202 4.75 1 Yes No 0 6 0 1
R:R:F203 R:R:Y204 9.28 1 Yes Yes 8 5 2 2
R:R:F203 R:R:W285 3.01 1 Yes Yes 8 8 2 2
R:R:F203 R:R:F289 28.94 1 Yes Yes 8 7 2 1
R:R:F289 R:R:Y204 3.09 1 Yes Yes 7 5 1 2
R:R:F288 R:R:W285 4.01 1 Yes Yes 7 8 1 2
R:R:F289 R:R:W285 8.02 1 Yes Yes 7 8 1 2
R:R:F288 R:R:F289 12.86 1 Yes Yes 7 7 1 1
R:R:F288 R:R:N292 8.46 1 Yes Yes 7 6 1 1
R:R:F288 R:R:F313 5.36 1 Yes Yes 7 4 1 1
R:R:F288 R:R:V317 2.62 1 Yes No 7 6 1 2
L:L:?1 R:R:F288 21.19 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F289 7.71 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N292 8.69 1 Yes Yes 0 6 0 1
R:R:F313 R:R:V317 3.93 1 Yes No 4 6 1 2
L:L:?1 R:R:F313 3.85 1 Yes Yes 0 4 0 1
R:R:V317 R:R:W321 8.58 1 No Yes 6 7 2 1
R:R:W318 R:R:W321 10.31 1 Yes Yes 5 7 2 1
L:L:?1 R:R:W321 3.6 1 Yes Yes 0 7 0 1
R:R:F313 R:R:L291 2.44 1 Yes No 4 5 1 2
R:R:F313 R:R:L295 2.44 1 Yes No 4 3 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.81
Average Nodes In Shell32.00
Average Hubs In Shell19.00
Average Links In Shell56.00
Average Links Mediated by Hubs In Shell55.00
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 Hub7.50
Average Interaction Strength8.43
Average Nodes In Shell31.00
Average Hubs In Shell19.00
Average Links In Shell54.50
Average Links Mediated by Hubs In Shell53.50

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)