CodeQ6N
Name2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
Synonyms
Identifier
FormulaC39 H51 N5 O6
Molecular Weight685.852
SMILES
PubChem
Formal Charge0
Total Atoms101
Total Chiral Atoms0
Total Bonds106
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
6Z4Q A Peptide Neurotensin NTS1 Rattus Norvegicus SR142948A - - 2.92 2021-02-10 10.1126/sciadv.abe5504

A 2D representation of the interactions of Q6N in 6Z4Q
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
L:L:?1 R:R:Y146 5.09 1 Yes No 0 5 0 1
L:L:?1 R:R:M208 4.61 1 Yes No 0 5 0 1
L:L:?1 R:R:P227 4.46 1 Yes Yes 0 5 0 1
L:L:?1 R:R:L234 3.76 1 Yes No 0 5 0 1
L:L:?1 R:R:I238 3.1 1 Yes Yes 0 5 0 1
L:L:?1 R:R:R327 3.3 1 Yes Yes 0 5 0 1
L:L:?1 R:R:M330 12.28 1 Yes No 0 5 0 1
L:L:?1 R:R:F331 37.04 1 Yes No 0 3 0 1
L:L:?1 R:R:Y347 36.92 1 Yes No 0 4 0 1
L:L:?1 R:R:Y351 13.37 1 Yes No 0 4 0 1
R:R:Y145 R:R:Y146 13.9 1 Yes No 6 5 2 1
R:R:M208 R:R:Y146 9.58 1 No No 5 5 1 1
R:R:M208 R:R:P227 3.35 1 No Yes 5 5 1 1
R:R:P227 R:R:T226 5.25 1 Yes No 5 3 1 2
R:R:L234 R:R:P227 3.28 1 No Yes 5 5 1 1
R:R:F331 R:R:L234 3.65 1 No No 3 5 1 1
R:R:I238 R:R:R328 6.26 1 Yes Yes 5 6 1 2
R:R:F331 R:R:I238 3.77 1 No Yes 3 5 1 1
R:R:I238 R:R:V332 3.07 1 Yes Yes 5 4 1 2
R:R:R327 R:R:Y324 7.2 1 Yes Yes 5 5 1 2
R:R:R328 R:R:Y324 9.26 0 Yes Yes 6 5 2 2
R:R:R327 R:R:Y351 19.55 1 Yes No 5 4 1 1
R:R:R327 R:R:S354 7.91 1 Yes No 5 5 1 2
R:R:N355 R:R:R327 6.03 1 Yes Yes 6 5 2 1
R:R:F350 R:R:M330 3.73 0 No No 5 5 2 1
R:R:H348 R:R:Y347 16.33 0 No No 4 4 2 1
R:R:Y347 R:R:Y351 8.94 1 No No 4 4 1 1
L:L:?1 R:R:I334 2.33 1 Yes No 0 3 0 1
L:L:?1 R:R:F344 1.98 1 Yes No 0 3 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.69
Average Nodes In Shell22.00
Average Hubs In Shell9.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell24.00
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 Hub3.00
Average Interaction Strength10.69
Average Nodes In Shell22.00
Average Hubs In Shell9.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell24.00

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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 🔍)