CodeSNT
Name(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine
SynonymsSANT-1
Identifier1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(phenylmethyl)piperazin-1-yl]methanimine
FormulaC23 H27 N5
Molecular Weight373.494
SMILESCc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4
PubChem6878030
Formal Charge0
Total Atoms55
Total Chiral Atoms0
Total Bonds58
Total Aromatic Bonds17
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
4N4W F Protein Frizzled SMO Homo sapiens - SANT-1 - 2.8 2014-01-22 10.1038/ncomms5355

A 2D representation of the interactions of SNT in 4N4W
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:L515 R:R:M230 4.24 0 No No 5 7 2 1
R:R:K519 R:R:M230 7.2 0 No No 7 7 2 1
R:R:M230 W:W:?1 4.17 0 No Yes 7 0 1 0
R:R:K519 R:R:Y233 20.3 0 No No 7 6 2 2
R:R:L522 R:R:Y233 4.69 1 Yes No 7 6 1 2
R:R:I234 R:R:L522 4.28 0 No Yes 7 7 2 1
R:R:F274 R:R:T528 6.49 0 No No 9 7 2 1
R:R:V321 R:R:W281 6.13 0 No Yes 8 7 2 1
R:R:I389 R:R:W281 15.27 0 No Yes 9 7 2 1
R:R:L522 R:R:W281 5.69 1 Yes Yes 7 7 1 1
R:R:M525 R:R:W281 9.31 1 Yes Yes 5 7 1 1
R:R:F526 R:R:W281 7.02 1 Yes Yes 9 7 2 1
R:R:W281 W:W:?1 8.73 1 Yes Yes 7 0 1 0
R:R:F391 R:R:Y322 5.16 1 Yes Yes 8 9 1 2
R:R:L325 R:R:M525 5.65 1 No Yes 5 5 1 1
R:R:L325 W:W:?1 6.53 1 No Yes 5 0 1 0
R:R:V329 R:R:V411 4.81 0 No No 6 5 1 2
R:R:V329 W:W:?1 6.15 0 No Yes 6 0 1 0
R:R:D384 R:R:S387 8.83 0 No Yes 8 8 2 1
R:R:I389 R:R:S387 4.64 0 No Yes 9 8 2 1
R:R:S387 R:R:Y394 6.36 1 Yes No 8 5 1 1
R:R:S387 W:W:?1 7.08 1 Yes Yes 8 0 1 0
R:R:F391 R:R:I389 5.02 1 Yes No 8 9 1 2
R:R:F391 R:R:Y394 7.22 1 Yes No 8 5 1 1
R:R:F391 W:W:?1 8.61 1 Yes Yes 8 0 1 0
R:R:Y394 W:W:?1 8.29 1 No Yes 5 0 1 0
R:R:H470 R:R:R400 9.03 1 Yes No 7 9 1 2
R:R:D473 R:R:R400 11.91 0 No No 8 9 2 2
R:R:H470 R:R:V404 8.3 1 Yes No 7 7 1 2
R:R:F467 R:R:I408 5.02 0 Yes No 7 7 2 1
R:R:I408 W:W:?1 5.05 0 No Yes 7 0 1 0
R:R:F462 R:R:T528 5.19 0 Yes No 7 7 2 1
R:R:N521 R:R:T466 5.85 1 Yes No 8 8 1 1
R:R:T466 W:W:?1 10.42 1 No Yes 8 0 1 0
R:R:C469 R:R:N521 9.45 0 No Yes 7 8 2 1
R:R:H470 R:R:N521 10.2 1 Yes Yes 7 8 1 1
R:R:H470 W:W:?1 13.64 1 Yes Yes 7 0 1 0
R:R:D473 R:R:E518 11.69 0 No No 8 7 2 1
R:R:E518 W:W:?1 17.96 0 No Yes 7 0 1 0
R:R:N521 W:W:?1 10.52 1 Yes Yes 8 0 1 0
R:R:L522 R:R:M525 4.24 1 Yes Yes 7 5 1 1
R:R:F526 R:R:L522 4.87 1 Yes Yes 9 7 2 1
R:R:L522 W:W:?1 5.71 1 Yes Yes 7 0 1 0
R:R:M525 W:W:?1 11.66 1 Yes Yes 5 0 1 0
R:R:T528 W:W:?1 5.21 0 No Yes 7 0 1 0
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.65
Average Nodes In Shell33.00
Average Hubs In Shell12.00
Average Links In Shell45.00
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 🔍)
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.65
Average Nodes In Shell33.00
Average Hubs In Shell12.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell38.00

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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 🔍)