Code9AO
NameN~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide
Synonyms
Identifier(2~{R})-2-(2,2-diphenylethanoylamino)-~{N}-[(4-hydroxyphenyl)methyl]-5-[[(~{E})-~{N}'-[2-(propanoylamino)ethylcarbamoyl]carbamimidoyl]amino]pentanamide
FormulaC33 H41 N7 O5
Molecular Weight615.723
SMILESCCC(=O)NCCNC(=O)/N=C(\N)/NCCC[C@H](C(=O)NCc1ccc(cc1)O)NC(=O)C(c2ccccc2)c3ccccc3
PubChem127041619
Formal Charge0
Total Atoms86
Total Chiral Atoms1
Total Bonds88
Total Aromatic Bonds18
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
5ZBQ A Peptide Neuropeptide Y Y1 Homo sapiens UR-MK-299 - - 2.7 2018-04-25 10.1038/s41586-018-0046-x

A 2D representation of the interactions of 9AO in 5ZBQ
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:Q120 R:R:V89 10.03 1 Yes No 6 7 1 2
R:R:F173 R:R:P117 7.22 0 Yes No 5 6 1 2
R:R:I124 R:R:Q120 5.49 1 No Yes 7 6 2 1
R:R:Q120 R:R:W276 7.67 1 Yes Yes 6 8 1 2
R:R:M310 R:R:Q120 5.44 0 No Yes 7 6 2 1
L:L:?1 R:R:Q120 7.23 1 Yes Yes 0 6 0 1
R:R:C121 R:R:F173 5.59 0 No Yes 4 5 2 1
R:R:I124 R:R:Q219 8.23 1 No Yes 7 6 2 1
R:R:I124 R:R:W276 8.22 1 No Yes 7 8 2 2
R:R:Q219 R:R:T125 7.09 0 Yes No 6 6 1 2
R:R:F173 R:R:Y211 8.25 0 Yes Yes 5 6 1 2
L:L:?1 R:R:F173 7.28 1 Yes Yes 0 5 0 1
R:R:L215 R:R:Y211 14.07 0 No Yes 5 6 2 2
R:R:D287 R:R:T212 15.9 1 No No 4 5 1 1
L:L:?1 R:R:T212 5.6 1 Yes No 0 5 0 1
R:R:L215 R:R:Q219 7.99 0 No Yes 5 6 2 1
L:L:?1 R:R:Q219 5.06 1 Yes Yes 0 6 0 1
R:R:T280 R:R:Y220 9.99 0 No Yes 8 8 1 2
R:R:L279 R:R:W276 4.56 1 Yes Yes 7 8 1 2
R:R:L279 R:R:N283 8.24 1 Yes No 7 5 1 1
L:L:?1 R:R:L279 5.26 1 Yes Yes 0 7 0 1
L:L:?1 R:R:T280 8.8 1 Yes No 0 8 0 1
R:R:F282 R:R:F286 9.65 1 Yes Yes 5 4 1 1
R:R:F282 R:R:L301 7.31 1 Yes No 5 6 1 2
R:R:F282 R:R:F302 6.43 1 Yes Yes 5 5 1 1
L:L:?1 R:R:F282 8.6 1 Yes Yes 0 5 0 1
L:L:?1 R:R:N283 28.34 1 Yes No 0 5 0 1
R:R:F286 R:R:I292 5.02 1 Yes No 4 4 1 2
R:R:F286 R:R:H298 10.18 1 Yes No 4 3 1 2
L:L:?1 R:R:F286 11.91 1 Yes Yes 0 4 0 1
L:L:?1 R:R:D287 14.74 1 Yes No 0 4 0 1
R:R:F302 R:R:H306 7.92 1 Yes Yes 5 6 1 2
L:L:?1 R:R:F302 14.55 1 Yes Yes 0 5 0 1
R:R:H306 R:R:M310 13.13 0 Yes No 6 7 2 2
R:R:F302 R:R:T101 3.89 1 Yes No 5 4 1 2
R:R:C305 R:R:L279 3.17 0 No Yes 6 7 2 1
L:L:?1 R:R:A294 1.71 1 Yes No 0 1 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength9.92
Average Nodes In Shell29.00
Average Hubs In Shell12.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell36.00
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 Hub7.00
Average Interaction Strength9.92
Average Nodes In Shell29.00
Average Hubs In Shell12.00
Average Links In Shell37.00
Average Links Mediated by Hubs In Shell36.00

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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 🔍)