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
Identifier2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
FormulaC39 H51 N5 O6
Molecular Weight685.852
SMILESCC(C)c1cc(ccc1n2c(cc(n2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)c6c(cccc6OC)OC)C(=O)N(C)CCCN(C)C
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
R:R:F128 R:R:Y351 7.22 0 Yes No 6 4 2 1
R:R:Y145 R:R:Y146 13.9 0 Yes No 6 5 2 1
R:R:M208 R:R:Y146 9.58 1 No No 5 5 1 1
L:L:?1 R:R:Y146 5.97 1 Yes No 0 5 0 1
R:R:M208 R:R:P227 3.35 1 No Yes 5 5 1 1
L:L:?1 R:R:M208 5.4 1 Yes No 0 5 0 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
L:L:?1 R:R:P227 5.23 1 Yes Yes 0 5 0 1
R:R:F331 R:R:L234 18.27 1 Yes No 3 5 1 1
L:L:?1 R:R:L234 4.41 1 Yes No 0 5 0 1
R:R:F331 R:R:R235 3.21 1 Yes No 3 4 1 2
R:R:I238 R:R:R328 6.26 1 Yes Yes 5 6 1 1
R:R:F331 R:R:I238 10.05 1 Yes Yes 3 5 1 1
R:R:I238 R:R:V332 3.07 1 Yes No 5 4 1 2
L:L:?1 R:R:I238 3.64 1 Yes Yes 0 5 0 1
R:R:N241 R:R:R328 9.64 1 Yes Yes 5 6 2 1
R:R:R328 R:R:T242 5.17 1 Yes No 6 5 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 1 Yes Yes 6 5 1 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
L:L:?1 R:R:R327 3.87 1 Yes Yes 0 5 0 1
L:L:?1 R:R:R328 3.1 1 Yes Yes 0 6 0 1
R:R:F350 R:R:M330 3.73 0 No No 5 5 2 1
L:L:?1 R:R:M330 14.41 1 Yes No 0 5 0 1
L:L:?1 R:R:F331 16.29 1 Yes Yes 0 3 0 1
R:R:F346 R:R:Y347 5.16 0 No No 4 4 2 1
R:R:F346 R:R:F350 5.36 0 No No 4 5 2 2
L:L:?1 R:R:Y347 17.18 1 Yes No 0 4 0 1
L:L:?1 R:R:Y351 15.68 1 Yes No 0 4 0 1
L:L:?1 R:R:I334 2.73 1 Yes No 0 3 0 1
L:L:?1 R:R:F344 2.33 1 Yes No 0 3 0 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.71
Average Nodes In Shell26.00
Average Hubs In Shell11.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell30.00
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 Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.71
Average Nodes In Shell26.00
Average Hubs In Shell11.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell30.00

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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 🔍)