CodeG3C
Name(1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Synonyms
Identifier(1~{R})-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-3-benzazepine-7,8-diol
FormulaC16 H16 Cl N O3
Molecular Weight305.756
SMILESc1cc(ccc1[C@H]2CNCCc3c2cc(c(c3Cl)O)O)O
PubChem30026875
Formal Charge0
Total Atoms37
Total Chiral Atoms1
Total Bonds39
Total Aromatic Bonds12
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7CKW A Amine Dopamine D1 Homo sapiens Fenoldopam - Gs/Beta1/Gamma2 3.22 2021-03-03 10.1016/j.cell.2021.01.028

A 2D representation of the interactions of G3C in 7CKW
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 1 Yes No 7 8 1 2
R:R:V77 R:R:W321 4.9 1 No Yes 8 7 2 2
R:R:D103 R:R:S107 5.89 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 15.38 1 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 5.71 1 Yes No 0 6 0 1
R:R:S107 R:R:W285 7.41 1 No Yes 7 8 1 2
L:L:?1 R:R:S107 6.01 1 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 7.99 1 No No 6 6 1 2
R:R:I154 R:R:S198 6.19 0 No No 5 7 2 1
R:R:H164 R:R:L190 5.14 0 Yes No 5 4 2 1
R:R:H164 R:R:Y194 6.53 0 Yes Yes 5 7 2 2
L:L:?1 R:R:L190 19.38 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 8.01 1 Yes No 0 7 0 1
R:R:F289 R:R:S199 5.28 1 Yes No 7 7 1 1
R:R:N292 R:R:S199 7.45 1 No No 6 7 1 1
L:L:?1 R:R:S199 5.01 1 Yes No 0 7 0 1
R:R:F289 R:R:S202 6.61 1 Yes No 7 6 1 1
L:L:?1 R:R:S202 5.01 1 Yes No 0 6 0 1
R:R:F203 R:R:F289 22.51 0 Yes Yes 8 7 2 1
R:R:F289 R:R:W285 7.02 1 Yes Yes 7 8 1 2
R:R:F288 R:R:F289 15 1 Yes Yes 7 7 1 1
R:R:F288 R:R:N292 9.67 1 Yes No 7 6 1 1
R:R:F288 R:R:F313 5.36 1 Yes Yes 7 4 1 2
L:L:?1 R:R:F288 12.18 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F289 4.87 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N292 13.73 1 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.53
Average Nodes In Shell21.00
Average Hubs In Shell10.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell25.00
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
7X2C A Amine Dopamine D1 Homo sapiens Fenoldopam Fenoldopam Gs/Beta1/Gamma2 3.2 2022-06-29 10.1038/s41467-022-30929-w

A 2D representation of the interactions of G3C in 7X2C
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 No Yes 8 5 2 1
R:R:D103 R:R:V77 4.38 1 Yes No 7 8 1 2
R:R:V77 R:R:W321 8.58 1 No Yes 8 7 2 2
R:R:F95 R:R:W80 10.02 1 Yes Yes 5 5 2 2
R:R:W80 R:R:W99 7.5 1 Yes Yes 5 5 2 1
R:R:E85 R:R:K81 4.05 1 No Yes 4 6 2 1
R:R:K81 R:R:W99 3.48 1 Yes Yes 6 5 1 1
R:R:D314 R:R:K81 5.53 1 No Yes 4 6 1 1
R:R:K81 R:R:W318 9.28 1 Yes No 6 5 1 2
R:R:K81 R:R:W321 5.8 1 Yes Yes 6 7 1 2
R:R:K81 W:W:?1 8.46 1 Yes Yes 6 0 1 0
R:R:D314 R:R:E85 9.09 1 No No 4 4 1 2
R:R:W90 R:R:W99 7.5 1 Yes Yes 8 5 2 1
R:R:F95 R:R:W99 4.01 1 Yes Yes 5 5 2 1
R:R:V100 R:R:W99 3.68 0 No Yes 5 5 2 1
R:R:W99 W:W:?1 8.35 1 Yes Yes 5 0 1 0
R:R:D103 R:R:W321 12.28 1 Yes Yes 7 7 1 2
R:R:D103 W:W:?1 4.52 1 Yes Yes 7 0 1 0
L:L:?1 R:R:D103 17.19 1 Yes Yes 0 7 1 1
L:L:?1 R:R:I104 21.89 1 Yes No 0 6 1 2
L:L:?1 R:R:S107 7.01 1 Yes No 0 7 1 2
R:R:S189 W:W:?1 4 0 No Yes 4 0 1 0
R:R:L190 R:R:N292 5.49 1 No Yes 4 6 2 2
L:L:?1 R:R:L190 17.53 1 Yes No 0 4 1 2
L:L:?1 R:R:S198 9.01 1 Yes No 0 7 1 2
L:L:?1 R:R:S202 4 1 Yes No 0 6 1 2
R:R:F288 R:R:F289 8.57 1 Yes Yes 7 7 2 2
R:R:F288 R:R:N292 3.62 1 Yes Yes 7 6 2 2
R:R:F288 R:R:F313 4.29 1 Yes No 7 4 2 1
L:L:?1 R:R:F288 11.37 1 Yes Yes 0 7 1 2
L:L:?1 R:R:F289 6.5 1 Yes Yes 0 7 1 2
L:L:?1 R:R:N292 3.66 1 Yes Yes 0 6 1 2
R:R:F313 W:W:?1 5.68 0 No Yes 4 0 1 0
R:R:D314 W:W:?1 9.95 1 No Yes 4 0 1 0
R:R:W318 R:R:W321 8.43 1 No Yes 5 7 2 2
L:L:?1 R:R:W321 5.32 1 Yes Yes 0 7 1 2
L:L:?1 W:W:?1 30.77 1 Yes Yes 0 0 1 0
R:R:S310 W:W:?1 3 0 No Yes 1 0 1 0
R:R:D187 W:W:?1 0.9 0 No Yes 5 0 1 0
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.40
Average Nodes In Shell26.00
Average Hubs In Shell12.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell38.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of G3C in 7X2C
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 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 8.58 1 No Yes 8 7 2 1
R:R:M78 R:R:W321 6.98 0 No Yes 7 7 2 1
R:R:K81 R:R:W99 3.48 1 Yes Yes 6 5 2 2
R:R:D314 R:R:K81 5.53 1 No Yes 4 6 2 2
R:R:K81 R:R:W318 9.28 1 Yes No 6 5 2 2
R:R:K81 R:R:W321 5.8 1 Yes Yes 6 7 2 1
R:R:K81 W:W:?1 8.46 1 Yes Yes 6 0 2 1
R:R:W99 W:W:?1 8.35 1 Yes Yes 5 0 2 1
R:R:D103 R:R:W321 12.28 1 Yes Yes 7 7 1 1
R:R:D103 W:W:?1 4.52 1 Yes Yes 7 0 1 1
L:L:?1 R:R:D103 17.19 1 Yes Yes 0 7 0 1
R:R:I104 R:R:S155 6.19 0 No No 6 7 1 2
R:R:I104 R:R:Y194 3.63 0 No Yes 6 7 1 2
L:L:?1 R:R:I104 21.89 1 Yes No 0 6 0 1
R:R:S107 R:R:W285 4.94 0 No Yes 7 8 1 2
L:L:?1 R:R:S107 7.01 1 Yes No 0 7 0 1
R:R:S202 R:R:T108 9.59 0 No No 6 6 1 2
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:S189 W:W:?1 4 0 No Yes 4 0 2 1
R:R:L190 R:R:N292 5.49 1 No Yes 4 6 1 1
L:L:?1 R:R:L190 17.53 1 Yes No 0 4 0 1
R:R:S198 R:R:Y194 7.63 0 No Yes 7 7 1 2
L:L:?1 R:R:S198 9.01 1 Yes No 0 7 0 1
R:R:F289 R:R:S199 6.61 1 Yes No 7 7 1 2
R:R:N292 R:R:S199 5.96 1 Yes No 6 7 1 2
L:L:?1 R:R:S202 4 1 Yes No 0 6 0 1
R:R:F203 R:R:W285 4.01 1 Yes Yes 8 8 2 2
R:R:F203 R:R:F289 21.43 1 Yes Yes 8 7 2 1
R:R:F288 R:R:W285 6.01 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 8.57 1 Yes Yes 7 7 1 1
R:R:F288 R:R:N292 3.62 1 Yes Yes 7 6 1 1
R:R:F288 R:R:F313 4.29 1 Yes No 7 4 1 2
R:R:F288 R:R:V317 3.93 1 Yes No 7 6 1 2
L:L:?1 R:R:F288 11.37 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F289 6.5 1 Yes Yes 0 7 0 1
L:L:?1 R:R:N292 3.66 1 Yes Yes 0 6 0 1
R:R:F313 W:W:?1 5.68 0 No Yes 4 0 2 1
R:R:D314 W:W:?1 9.95 1 No Yes 4 0 2 1
R:R:W318 R:R:W321 8.43 1 No Yes 5 7 2 1
L:L:?1 R:R:W321 5.32 1 Yes Yes 0 7 0 1
L:L:?1 W:W:?1 30.77 1 Yes Yes 0 0 0 1
R:R:I154 R:R:S155 3.1 0 No No 5 7 2 2
R:R:I154 R:R:S198 3.1 0 No No 5 7 2 1
R:R:S310 W:W:?1 3 0 No Yes 1 0 2 1
R:R:D187 W:W:?1 0.9 0 No Yes 5 0 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength12.20
Average Nodes In Shell31.00
Average Hubs In Shell13.00
Average Links In Shell49.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8JLQ A Amine Trace amine receptors TA1 Homo Sapiens Fenoldopam - Gs/Beta1/Gamma2 2.84 2023-11-15 10.1038/s41586-023-06804-z

A 2D representation of the interactions of G3C in 8JLQ
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:V76 11.69 2 No Yes 6 7 1 2
R:R:V76 R:R:Y294 3.79 2 Yes Yes 7 7 2 2
R:R:R83 R:R:S80 9.22 0 No No 4 6 1 2
R:R:S80 R:R:Y294 7.63 0 No Yes 6 7 2 2
R:R:R83 R:R:W89 6 0 No Yes 4 7 1 2
L:L:?1 R:R:R83 8.91 2 Yes No 0 4 0 1
L:L:?1 R:R:T100 5.9 2 Yes No 0 4 0 1
R:R:D103 R:R:Y294 10.34 2 No Yes 6 7 1 2
L:L:?1 R:R:D103 15.38 2 Yes No 0 6 0 1
L:L:?1 R:R:I104 7.61 2 Yes No 0 4 0 1
R:R:S107 R:R:W264 4.94 0 No Yes 6 8 1 2
L:L:?1 R:R:S107 10.01 2 Yes No 0 6 0 1
R:R:N164 R:R:V184 4.43 2 No No 4 4 2 1
R:R:F186 R:R:N164 7.25 2 Yes No 1 4 1 2
R:R:F186 R:R:V184 13.11 2 Yes No 1 4 1 1
L:L:?1 R:R:V184 8.94 2 Yes No 0 4 0 1
L:L:?1 R:R:F186 6.5 2 Yes Yes 0 1 0 1
R:R:F195 R:R:F199 7.5 2 Yes Yes 5 8 2 2
R:R:F195 R:R:F268 5.36 2 Yes Yes 5 7 2 1
R:R:F199 R:R:W264 4.01 2 Yes Yes 8 8 2 2
R:R:F199 R:R:F268 20.36 2 Yes Yes 8 7 2 1
R:R:F267 R:R:W264 7.02 2 Yes Yes 5 8 1 2
R:R:F268 R:R:W264 8.02 2 Yes Yes 7 8 1 2
R:R:F267 R:R:F268 5.36 2 Yes Yes 5 7 1 1
R:R:F267 R:R:T271 7.78 2 Yes No 5 5 1 2
R:R:F267 R:R:L289 6.09 2 Yes No 5 5 1 2
R:R:F267 R:R:I290 5.02 2 Yes Yes 5 5 1 1
L:L:?1 R:R:F267 16.24 2 Yes Yes 0 5 0 1
L:L:?1 R:R:F268 4.06 2 Yes Yes 0 7 0 1
R:R:I290 R:R:Y294 6.04 2 Yes Yes 5 7 1 2
L:L:?1 R:R:I290 12.37 2 Yes Yes 0 5 0 1
R:R:A155 R:R:I104 3.25 0 No No 6 4 2 1
R:R:I290 R:R:N286 2.83 2 Yes No 5 4 1 2
R:R:F186 R:R:S190 2.64 2 Yes No 1 6 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub4.00
Average Interaction Strength9.59
Average Nodes In Shell24.00
Average Hubs In Shell11.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell31.00
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 Hub4.25
Average Interaction Strength9.93
Average Nodes In Shell25.50
Average Hubs In Shell11.50
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell34.75

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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 🔍)