Code1OZ
NameN-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
Synonyms
Identifier~{N}-[(3~{S})-1-methyl-2-oxidanylidene-5-phenyl-3~{H}-1,4-benzodiazepin-3-yl]-1~{H}-indole-2-carboxamide
FormulaC25 H20 N4 O2
Molecular Weight408.452
SMILESCN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5
PubChem443375
Formal Charge0
Total Atoms51
Total Chiral Atoms1
Total Bonds55
Total Aromatic Bonds22
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
7F8Y A Peptide Cholecystokinin CCKA Homo sapiens Devazepide - - 2.5 2021-10-13 10.1038/s41589-021-00866-8

A 2D representation of the interactions of 1OZ in 7F8Y
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:L90 R:R:M121 4.24 1 No No 8 7 2 1
R:R:L90 R:R:Y360 5.86 1 No Yes 8 7 2 2
R:R:L356 R:R:N98 5.49 0 No No 6 7 2 1
R:R:N98 R:R:Y360 10.47 0 No Yes 7 7 1 2
L:L:?1 R:R:N98 8.27 1 Yes No 0 7 0 1
R:R:T118 R:R:Y176 7.49 1 No Yes 6 7 1 1
R:R:S180 R:R:T118 4.8 0 No No 6 6 2 1
L:L:?1 R:R:T118 6.22 1 Yes No 0 6 0 1
R:R:M121 R:R:Y360 5.99 1 No Yes 7 7 1 2
L:L:?1 R:R:M121 15.33 1 Yes No 0 7 0 1
R:R:M173 R:R:Y176 4.79 0 No Yes 8 7 2 1
R:R:F198 R:R:Y176 20.63 1 Yes Yes 5 7 2 1
R:R:W209 R:R:Y176 12.54 1 Yes Yes 8 7 2 1
L:L:?1 R:R:Y176 7.06 1 Yes Yes 0 7 0 1
R:R:F198 R:R:S180 5.28 1 Yes No 5 6 2 2
R:R:R197 R:R:R336 23.46 0 No No 4 4 2 1
R:R:F198 R:R:W209 7.02 1 Yes Yes 5 8 2 2
R:R:H210 R:R:N333 3.83 0 No No 6 7 2 1
R:R:I329 R:R:N333 4.25 0 No No 7 7 2 1
R:R:I329 R:R:L356 4.28 0 No No 7 6 2 2
L:L:?1 R:R:N333 16.55 1 Yes No 0 7 0 1
R:R:R346 R:R:W335 4 1 No Yes 4 5 2 2
R:R:L347 R:R:W335 5.69 1 No Yes 5 5 1 2
L:L:?1 R:R:R336 32.94 1 Yes No 0 4 0 1
R:R:L347 R:R:R346 3.64 1 No No 5 4 1 2
L:L:?1 R:R:L347 5.84 1 Yes No 0 5 0 1
R:R:I352 R:R:I355 4.42 0 No No 5 6 1 2
L:L:?1 R:R:I352 17.2 1 Yes No 0 5 0 1
L:L:?1 R:R:A332 2.85 1 Yes No 0 5 0 1
R:R:E344 R:R:R336 2.33 0 No No 1 4 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub1.00
Average Interaction Strength12.47
Average Nodes In Shell24.00
Average Hubs In Shell6.00
Average Links In Shell30.00
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 Links9.00
Average Number Of Links With An Hub1.00
Average Interaction Strength12.47
Average Nodes In Shell24.00
Average Hubs In Shell6.00
Average Links In Shell30.00
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 🔍)