CodeGBU
Name(1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Synonyms
Identifier(1~{S})-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
PubChem6604003
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
7CRH A Amine Dopamine D1 Homo sapiens SKF83959 - Gs/Beta1/Gamma2 3.3 2021-03-03 10.1016/j.cell.2021.01.028

A 2D representation of the interactions of GBU in 7CRH
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 8.58 2 No No 8 5 2 2
R:R:D103 R:R:V77 7.3 2 Yes No 7 8 1 2
R:R:M78 R:R:W321 6.98 0 No Yes 7 7 2 1
R:R:D314 R:R:K81 4.15 0 No No 4 6 2 2
R:R:K81 R:R:W318 5.8 2 No Yes 6 5 2 2
R:R:K81 R:R:W321 4.64 2 No Yes 6 7 2 1
R:R:D103 R:R:W99 8.93 2 Yes No 7 5 1 2
R:R:D103 R:R:W321 11.17 2 Yes Yes 7 7 1 1
L:L:?1 R:R:D103 10.08 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 11.78 2 Yes No 0 6 0 1
R:R:A195 R:R:L190 4.73 2 No No 5 4 2 1
R:R:L190 R:R:N292 2.75 2 No Yes 4 6 1 1
L:L:?1 R:R:L190 16 2 Yes No 0 4 0 1
R:R:S198 R:R:Y194 8.9 0 No Yes 7 7 1 2
R:R:A195 R:R:N292 3.13 2 No Yes 5 6 2 1
L:L:?1 R:R:S198 6.2 2 Yes No 0 7 0 1
R:R:F289 R:R:S199 6.61 2 Yes No 7 7 1 2
R:R:N292 R:R:S199 4.47 2 Yes No 6 7 1 2
R:R:F203 R:R:F289 28.94 0 No Yes 8 7 2 1
R:R:F288 R:R:W285 5.01 2 Yes Yes 7 8 1 2
R:R:F289 R:R:W285 10.02 2 Yes Yes 7 8 1 2
R:R:F288 R:R:F289 10.72 2 Yes Yes 7 7 1 1
R:R:F288 R:R:F313 5.36 2 Yes Yes 7 4 1 1
R:R:F288 R:R:V317 3.93 2 Yes No 7 6 1 1
L:L:?1 R:R:F288 26.14 2 Yes Yes 0 7 0 1
L:L:?1 R:R:F289 6.03 2 Yes Yes 0 7 0 1
R:R:F313 R:R:L291 4.87 2 Yes No 4 5 1 2
L:L:?1 R:R:N292 9.07 2 Yes Yes 0 6 0 1
R:R:D314 R:R:F313 3.58 0 No Yes 4 4 2 1
L:L:?1 R:R:F313 8.04 2 Yes Yes 0 4 0 1
R:R:V317 R:R:W321 9.81 2 No Yes 6 7 1 1
L:L:?1 R:R:V317 3.69 2 Yes No 0 6 0 1
R:R:W318 R:R:W321 7.5 2 Yes Yes 5 7 2 1
L:L:?1 R:R:W321 6.58 2 Yes Yes 0 7 0 1
R:R:F289 R:R:S202 2.64 2 Yes No 7 6 1 2
L:L:?1 R:R:S107 2.48 2 Yes No 0 7 0 1
R:R:C106 R:R:S107 1.72 0 No No 7 7 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.64
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell33.00
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 Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.64
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell33.00

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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 🔍)