CodeFUI
NameN-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea
Synonyms
Identifier1-(4-chlorophenyl)-3-(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)urea
FormulaC20 H21 Cl N4 O2
Molecular Weight384.859
SMILESCC(C)C1=C(C(=O)N(N1C)c2ccccc2)NC(=O)Nc3ccc(cc3)Cl
PubChem24776341
Formal Charge0
Total Atoms48
Total Chiral Atoms0
Total Bonds50
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
7T6S A Peptide Formylpeptide FPR2-ALX Homo sapiens PubChem 24776341 - Gi1/Beta1/Gamma2 3 2022-03-30 10.1038/s41467-022-28586-0

A 2D representation of the interactions of FUI in 7T6S
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:F74 R:R:L109 13.4 2 Yes Yes 7 8 2 1
R:R:F292 R:R:F74 15 2 Yes Yes 7 7 2 2
R:R:D106 R:R:T157 4.34 2 Yes No 5 7 1 2
R:R:D106 R:R:V160 4.38 2 Yes Yes 5 4 1 2
R:R:D106 R:R:R201 3.57 2 Yes Yes 5 5 1 1
L:L:?1 R:R:D106 17.61 2 Yes Yes 0 5 0 1
R:R:L109 R:R:W254 5.69 2 Yes Yes 8 9 1 1
R:R:F292 R:R:L109 4.87 2 Yes Yes 7 8 2 1
L:L:?1 R:R:L109 8.45 2 Yes Yes 0 8 0 1
R:R:F110 R:R:F114 7.5 0 Yes Yes 7 6 1 2
R:R:F110 R:R:L156 12.18 0 Yes No 7 5 1 2
R:R:F110 R:R:G209 3.01 0 Yes No 7 6 1 2
L:L:?1 R:R:F110 16.73 2 Yes Yes 0 7 0 1
R:R:F114 R:R:V113 5.24 0 Yes Yes 6 7 2 2
R:R:F250 R:R:V113 3.93 2 Yes Yes 9 7 2 2
R:R:V113 R:R:W254 6.13 2 Yes Yes 7 9 2 1
R:R:T157 R:R:V160 3.17 2 No Yes 7 4 2 2
R:R:F178 R:R:V160 3.93 2 Yes Yes 4 4 2 2
R:R:F178 R:R:R201 14.97 2 Yes Yes 4 5 2 1
R:R:R201 R:R:R205 11.73 2 Yes Yes 5 5 1 1
L:L:?1 R:R:R201 9.27 2 Yes Yes 0 5 0 1
R:R:G202 R:R:R205 4.5 0 No Yes 4 5 2 1
R:R:F257 R:R:R205 3.21 2 Yes Yes 7 5 1 1
R:R:Q258 R:R:R205 7.01 2 Yes Yes 8 5 1 1
L:L:?1 R:R:R205 17.62 2 Yes Yes 0 5 0 1
R:R:F206 R:R:F210 3.22 2 Yes Yes 6 9 2 2
R:R:F206 R:R:Q258 4.68 2 Yes Yes 6 8 2 1
R:R:F210 R:R:F250 3.22 2 Yes Yes 9 9 2 2
R:R:F210 R:R:Q258 9.37 2 Yes Yes 9 8 2 1
R:R:F250 R:R:W254 7.02 2 Yes Yes 9 9 2 1
R:R:F250 R:R:N294 3.62 2 Yes Yes 9 9 2 2
R:R:F257 R:R:W254 4.01 2 Yes Yes 7 9 1 1
R:R:Q258 R:R:W254 6.57 2 Yes Yes 8 9 1 1
R:R:A291 R:R:W254 6.48 2 No Yes 8 9 2 1
R:R:N294 R:R:W254 7.91 2 Yes Yes 9 9 2 1
L:L:?1 R:R:W254 6.09 2 Yes Yes 0 9 0 1
R:R:F257 R:R:Q258 4.68 2 Yes Yes 7 8 1 1
R:R:F257 R:R:T287 3.89 2 Yes No 7 7 1 2
R:R:A291 R:R:F257 4.16 2 No Yes 8 7 2 1
L:L:?1 R:R:F257 7.44 2 Yes Yes 0 7 0 1
L:L:?1 R:R:Q258 3.05 2 Yes Yes 0 8 0 1
L:L:?1 R:R:V284 10.23 2 Yes No 0 5 0 1
R:R:A261 R:R:R205 2.77 2 No Yes 5 5 2 1
R:R:A261 R:R:F257 2.77 2 No Yes 5 7 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub8.00
Average Interaction Strength10.72
Average Nodes In Shell27.00
Average Hubs In Shell19.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell44.00
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 Links9.00
Average Number Of Links With An Hub8.00
Average Interaction Strength10.72
Average Nodes In Shell27.00
Average Hubs In Shell19.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell44.00

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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 🔍)