CodeCW9
Name8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine
Synonyms
Identifier8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine
FormulaC21 H28 Br N5 O4
Molecular Weight494.382
SMILESCc1c(c2nc(nc(n2n1)N(CCOC)CCOC)C)c3c(cc(cc3OC)Br)OC
PubChem44517108
Formal Charge0
Total Atoms59
Total Chiral Atoms0
Total Bonds61
Total Aromatic Bonds16
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
8GTG B1 Peptide Corticotropin Releasing Factor CRF1 Homo sapiens - BMK-I152 - 2.75 2023-09-13  10.1038/s12276-023-01082-1

A 2D representation of the interactions of CW9 in 8GTG
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:F203 R:R:H199 3.39 4 Yes Yes 8 5 1 2
R:R:H199 R:R:M276 3.94 4 Yes No 5 7 2 2
R:R:H199 R:R:Y327 6.53 4 Yes Yes 5 8 2 1
R:R:F203 R:R:M276 14.93 4 Yes No 8 7 1 2
R:R:F203 R:R:Y327 6.19 4 Yes Yes 8 8 1 1
R:R:F203 W:W:?1 11.54 4 Yes Yes 8 0 1 0
R:R:M206 W:W:?1 18.76 0 No Yes 9 0 1 0
R:R:F207 R:R:N283 3.62 0 No No 6 9 2 1
R:R:F284 R:R:L280 4.87 4 No No 4 6 1 1
R:R:L280 W:W:?1 11.37 4 No Yes 6 0 1 0
R:R:N283 W:W:?1 24.29 0 No Yes 9 0 1 0
R:R:F284 W:W:?1 4.62 4 No Yes 4 0 1 0
R:R:L287 R:R:L317 2.77 0 No No 7 5 1 2
R:R:L287 W:W:?1 2.62 0 No Yes 7 0 1 0
R:R:F362 R:R:T316 2.59 0 Yes No 8 7 2 1
R:R:T316 W:W:?1 9.31 0 No Yes 7 0 1 0
R:R:L319 R:R:L323 9.69 0 No No 9 8 2 1
R:R:F362 R:R:L319 12.18 0 Yes No 8 9 2 2
R:R:L320 R:R:P321 3.28 0 No No 7 7 1 2
R:R:L320 W:W:?1 11.37 0 No Yes 7 0 1 0
R:R:L323 R:R:Q355 3.99 0 No No 8 9 1 2
R:R:L323 W:W:?1 7.87 0 No Yes 8 0 1 0
R:R:Y327 W:W:?1 2.96 4 Yes Yes 8 0 1 0
R:R:T326 R:R:Y327 2.5 0 No Yes 8 8 2 1
R:R:G210 W:W:?1 2.16 0 No Yes 7 0 1 0
R:R:G324 W:W:?1 1.08 0 No Yes 9 0 1 0
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub2.00
Average Interaction Strength9.00
Average Nodes In Shell22.00
Average Hubs In Shell5.00
Average Links In Shell26.00
Average Links Mediated by Hubs In Shell20.00
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 Hub2.00
Average Interaction Strength9.00
Average Nodes In Shell22.00
Average Hubs In Shell5.00
Average Links In Shell26.00
Average Links Mediated by Hubs In Shell20.00

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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 🔍)