Code0VI
Name7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine
Synonyms
Identifier7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine
FormulaC23 H27 Br F6 N5 O2
Molecular Weight599.387
SMILESCC1=N[N]2=C(C1c3c(cc(cc3OC)Br)OC)N=C(N=C2N(CCCC(F)(F)F)CCCC(F)(F)F)C
PubChem168477862
Formal Charge0
Total Atoms64
Total Chiral Atoms1
Total Bonds66
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
8GTM B1 Peptide Corticotropin Releasing Factor CRF1 Homo sapiens - BMK-C203 - 2.6 2023-09-13  10.1038/s12276-023-01082-1

A 2D representation of the interactions of 0VI in 8GTM
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:F162 R:R:L158 4.87 1 Yes No 7 8 1 2
R:R:F162 R:R:N202 20.54 1 Yes Yes 7 7 1 1
R:R:F162 R:R:V359 13.11 1 Yes No 7 9 1 2
R:R:F162 W:W:?1 5.09 1 Yes Yes 7 0 1 0
R:R:H199 R:R:R165 12.41 1 Yes Yes 5 8 2 2
R:R:N202 R:R:R165 10.85 1 Yes Yes 7 8 1 2
R:R:Q355 R:R:R165 3.5 1 No Yes 9 8 1 2
R:R:F203 R:R:H199 3.39 1 Yes Yes 8 5 1 2
R:R:H199 R:R:M276 5.25 1 Yes Yes 5 7 2 2
R:R:H199 R:R:Y327 3.27 1 Yes Yes 5 8 2 1
R:R:N202 R:R:T201 2.92 1 Yes Yes 7 7 1 2
R:R:N202 W:W:?1 4.1 1 Yes Yes 7 0 1 0
R:R:F203 R:R:M276 14.93 1 Yes Yes 8 7 1 2
R:R:F203 R:R:Y327 4.13 1 Yes Yes 8 8 1 1
R:R:F203 W:W:?1 11.63 1 Yes Yes 8 0 1 0
R:R:M206 W:W:?1 19.4 0 No Yes 9 0 1 0
R:R:F207 R:R:N283 4.83 0 Yes No 6 9 2 1
R:R:G210 R:R:N283 5.09 0 No No 7 9 2 1
R:R:F284 R:R:L280 4.87 1 No No 4 6 1 1
R:R:L280 W:W:?1 14.04 1 No Yes 6 0 1 0
R:R:N283 W:W:?1 24.58 0 No Yes 9 0 1 0
R:R:F284 W:W:?1 5.81 1 No Yes 4 0 1 0
R:R:L287 R:R:V291 2.98 0 No No 7 6 1 2
R:R:T316 W:W:?1 8.79 0 No Yes 7 0 1 0
R:R:L319 R:R:L323 9.69 0 No No 9 8 2 1
R:R:L320 W:W:?1 13.21 0 No Yes 7 0 1 0
R:R:L323 R:R:Q355 3.99 1 No No 8 9 1 1
R:R:L323 W:W:?1 4.13 1 No Yes 8 0 1 0
R:R:G324 W:W:?1 3.06 0 No Yes 9 0 1 0
R:R:T326 R:R:Y327 3.75 0 No Yes 8 8 2 1
R:R:Y327 W:W:?1 4.2 1 Yes Yes 8 0 1 0
R:R:Q355 W:W:?1 4.76 1 No Yes 9 0 1 0
R:R:L287 W:W:?1 2.48 0 No Yes 7 0 1 0
R:R:L320 R:R:P321 1.64 0 No No 7 7 1 2
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.95
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell28.00
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 Hub4.00
Average Interaction Strength8.95
Average Nodes In Shell27.00
Average Hubs In Shell10.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell28.00

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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 🔍)