CodeXGD
Name4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide
Synonyms
Identifier~{N}-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxy-phenyl]sulfonylamino]phenyl]ethyl]-2-(1,2,3-triazol-2-yl)benzamide
FormulaC33 H32 N6 O5 S
Molecular Weight624.709
SMILESCN(C)C(=O)c1cccc(c1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3)CCNC(=O)c4ccccc4n5nccn5)OC
PubChem155491009
Formal Charge0
Total Atoms77
Total Chiral Atoms0
Total Bonds81
Total Aromatic Bonds29
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
7L1V A Peptide Orexin OX2 Homo sapiens PubChem 155491009 - chim(NtGi1-Gs-CtGq)/Beta1/Gamma2 3 2021-02-10 10.1038/s41467-021-21087-6

A 2D representation of the interactions of XGD in 7L1V
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:T111 R:R:Y61 4.99 2 No Yes 7 7 1 2
R:R:Y354 R:R:Y61 6.95 2 Yes Yes 7 7 2 2
R:R:V103 R:R:V138 3.21 0 No No 7 6 2 1
R:R:C107 R:R:Q134 6.1 2 No Yes 7 7 1 1
R:R:C107 R:R:Y354 6.72 2 No Yes 7 7 1 2
L:L:?1 R:R:C107 4.08 2 Yes No 0 7 0 1
R:R:T111 R:R:Y354 9.99 2 No Yes 7 7 1 2
L:L:?1 R:R:T111 11.36 2 Yes No 0 7 0 1
L:L:?1 R:R:V114 10.53 2 Yes No 0 5 0 1
R:R:E118 R:R:R339 4.65 2 No Yes 4 1 2 2
R:R:E118 R:R:Y343 6.73 2 No No 4 3 2 1
R:R:F122 R:R:W120 13.03 0 No Yes 6 7 2 1
R:R:C127 R:R:W120 3.92 2 No Yes 9 7 2 1
R:R:I130 R:R:W120 3.52 0 Yes Yes 5 7 2 1
R:R:C210 R:R:W120 16.98 2 No Yes 9 7 2 1
L:L:?1 R:R:W120 3.66 2 Yes Yes 0 7 0 1
R:R:C127 R:R:C210 7.28 2 No No 9 9 2 2
R:R:I130 R:R:P131 3.39 0 Yes No 5 5 2 1
R:R:I130 R:R:Q134 5.49 0 Yes Yes 5 7 2 1
R:R:M191 R:R:P131 5.03 2 Yes No 6 5 1 1
L:L:?1 R:R:P131 7.39 2 Yes No 0 5 0 1
L:L:?1 R:R:Q134 15.39 2 Yes Yes 0 7 0 1
R:R:M184 R:R:T135 9.03 0 Yes No 7 6 2 1
R:R:Q187 R:R:T135 8.5 0 No No 6 6 2 1
L:L:?1 R:R:T135 4.74 2 Yes No 0 6 0 1
L:L:?1 R:R:V138 6.7 2 Yes No 0 6 0 1
R:R:F227 R:R:M184 4.98 0 No Yes 5 7 1 2
R:R:E212 R:R:Q187 3.82 2 Yes No 4 6 2 2
R:R:C210 R:R:M191 3.24 2 No Yes 9 6 2 1
R:R:E212 R:R:M191 4.06 2 Yes Yes 4 6 2 1
L:L:?1 R:R:M191 3.63 2 Yes Yes 0 6 0 1
R:R:E212 R:R:R328 17.45 2 Yes Yes 4 4 2 2
R:R:F227 R:R:T231 3.89 0 No No 5 6 1 2
L:L:?1 R:R:F227 4.7 2 Yes No 0 5 0 1
R:R:I320 R:R:S349 3.1 2 No No 7 6 1 2
R:R:H350 R:R:I320 10.61 2 No No 5 7 1 1
L:L:?1 R:R:I320 6.42 2 Yes No 0 7 0 1
R:R:N324 R:R:R328 3.62 0 No Yes 7 4 1 2
L:L:?1 R:R:N324 7.06 2 Yes No 0 7 0 1
R:R:R339 R:R:Y343 4.12 2 Yes No 1 3 2 1
L:L:?1 R:R:Y343 18.83 2 Yes No 0 3 0 1
R:R:H350 R:R:Y354 7.62 2 No Yes 5 7 1 2
L:L:?1 R:R:H350 17.35 2 Yes No 0 5 0 1
R:R:Q134 R:R:T106 2.83 2 Yes No 7 5 1 2
R:R:A110 R:R:Q134 1.52 0 No Yes 4 7 2 1
R:R:G123 R:R:W120 1.41 0 No Yes 8 7 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.70
Average Nodes In Shell33.00
Average Hubs In Shell11.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell39.00
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 Links14.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.70
Average Nodes In Shell33.00
Average Hubs In Shell11.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell39.00

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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 🔍)