Code9P2
Name1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine
Synonyms
Identifier
FormulaC36 H35 N3 O4
Molecular Weight573.681
SMILES
PubChem10210160
Formal Charge0
Total Atoms78
Total Chiral Atoms0
Total Bonds84
Total Aromatic Bonds29
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
5O9H A Peptide Complement Peptide C5A1 Homo Sapiens - NDT9513727 - 2.7 2018-01-10 10.1038/nature25025

A 2D representation of the interactions of 9P2 in 5O9H
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:T129 R:R:W74 4.85 0 No Yes 6 7 1 2
R:R:I124 R:R:P214 5.08 0 No No 8 9 2 1
R:R:L125 R:R:L163 5.54 3 No No 6 4 1 1
R:R:L125 W:W:?1 8.24 3 No Yes 6 0 1 0
R:R:A128 W:W:?1 9.38 0 No Yes 7 0 1 0
R:R:T129 W:W:?1 5.85 0 No Yes 6 0 1 0
R:R:L152 R:R:L156 4.15 0 No No 3 5 2 1
R:R:L156 W:W:?1 3.66 0 No Yes 5 0 1 0
R:R:V159 W:W:?1 9.86 0 No Yes 1 0 1 0
R:R:L163 W:W:?1 3.66 3 No Yes 4 0 1 0
R:R:L209 R:R:V205 2.98 0 No No 4 3 1 2
R:R:L209 W:W:?1 3.66 0 No Yes 4 0 1 0
R:R:P214 R:R:W213 4.05 3 No No 9 5 1 1
R:R:T217 R:R:W213 10.92 3 No No 5 5 1 1
R:R:W213 W:W:?1 19.59 3 No Yes 5 0 1 0
R:R:P214 W:W:?1 5.43 3 No Yes 9 0 1 0
R:R:T217 W:W:?1 4.88 3 No Yes 5 0 1 0
R:R:I155 R:R:V159 1.54 0 No No 2 1 2 1
R:R:L163 R:R:L166 1.38 3 No No 4 4 1 2
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub0.00
Average Interaction Strength7.42
Average Nodes In Shell17.00
Average Hubs In Shell2.00
Average Links In Shell19.00
Average Links Mediated by Hubs In Shell11.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6C1Q A Peptide Complement Peptide C5A1 Homo Sapiens PMX53 NDT9513727 - 2.9 2018-05-30 10.1038/s41594-018-0067-z

A 2D representation of the interactions of 9P2 in 6C1Q
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:I124 R:R:P214 6.77 4 No No 8 9 1 1
R:R:F251 R:R:I124 12.56 0 No No 9 8 2 1
R:R:I124 W:W:?1 3.78 4 No Yes 8 0 1 0
R:R:L125 R:R:L163 5.54 0 No No 6 4 1 2
R:R:L125 W:W:?1 7.33 0 No Yes 6 0 1 0
R:R:A128 W:W:?1 8.34 0 No Yes 7 0 1 0
R:R:T129 W:W:?1 5.85 0 No Yes 6 0 1 0
R:R:V159 W:W:?1 10.84 0 No Yes 1 0 1 0
R:R:L209 R:R:V205 2.98 0 No No 4 3 1 2
R:R:L209 W:W:?1 5.5 0 No Yes 4 0 1 0
R:R:P214 R:R:W213 4.05 4 No No 9 5 1 1
R:R:T217 R:R:W213 9.7 4 No No 5 5 1 1
R:R:W213 W:W:?1 18.09 4 No Yes 5 0 1 0
R:R:P214 W:W:?1 6.52 4 No Yes 9 0 1 0
R:R:T217 W:W:?1 5.85 4 No Yes 5 0 1 0
R:R:A156 R:R:T129 1.68 0 No No 5 6 2 1
R:R:I155 R:R:V159 1.54 0 No No 2 1 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub0.00
Average Interaction Strength8.01
Average Nodes In Shell15.00
Average Hubs In Shell1.00
Average Links In Shell17.00
Average Links Mediated by Hubs In Shell9.00
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 Links11.00
Average Number Of Links With An Hub0.75
Average Interaction Strength7.68
Average Nodes In Shell19.00
Average Hubs In Shell3.00
Average Links In Shell22.50
Average Links Mediated by Hubs In Shell15.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)