CodeQ6Q
Name2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
Synonyms
Identifier2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
FormulaC32 H31 Cl N4 O5
Molecular Weight587.065
SMILESCOc1cccc(c1c2cc(nn2c3ccnc4c3ccc(c4)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O)OC
PubChem
Formal Charge0
Total Atoms73
Total Chiral Atoms0
Total Bonds79
Total Aromatic Bonds22
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
6Z4S A Peptide Neurotensin NTS1 Rattus norvegicus SR48692 - - 2.71 2021-02-10 10.1126/sciadv.abe5504

A 2D representation of the interactions of Q6Q in 6Z4S
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 9.28 1 Yes Yes 6 4 2 1
R:R:F128 R:R:N355 6.04 1 Yes Yes 6 6 2 2
R:R:Y145 R:R:Y146 12.91 1 Yes Yes 6 5 2 1
R:R:M204 R:R:Y146 4.79 0 No Yes 6 5 2 1
R:R:M208 R:R:Y146 15.57 1 Yes Yes 5 5 1 1
L:L:?1 R:R:Y146 6.11 1 Yes Yes 0 5 0 1
R:R:M204 R:R:T207 4.52 0 No Yes 6 4 2 2
R:R:M208 R:R:T207 3.01 1 Yes Yes 5 4 1 2
R:R:M208 R:R:P227 8.39 1 Yes No 5 5 1 2
L:L:?1 R:R:M208 4.61 1 Yes Yes 0 5 0 1
R:R:I238 R:R:R328 3.76 1 No No 5 6 1 1
R:R:F331 R:R:I238 5.02 1 No No 3 5 1 1
L:L:?1 R:R:I238 4.65 1 Yes No 0 5 0 1
R:R:R327 R:R:Y324 8.23 1 Yes Yes 5 5 1 2
R:R:R328 R:R:Y324 12.35 1 No Yes 6 5 1 2
R:R:M330 R:R:V326 3.04 1 No No 5 5 1 2
R:R:F350 R:R:V326 3.93 1 No No 5 5 2 2
R:R:R327 R:R:Y351 12.35 1 Yes Yes 5 4 1 1
R:R:R327 R:R:S354 10.54 1 Yes No 5 5 1 2
R:R:N355 R:R:R327 12.05 1 Yes Yes 6 5 2 1
L:L:?1 R:R:R327 17.42 1 Yes Yes 0 5 0 1
L:L:?1 R:R:R328 9.5 1 Yes No 0 6 0 1
R:R:F350 R:R:M330 6.22 1 No No 5 5 2 1
L:L:?1 R:R:M330 6.45 1 Yes No 0 5 0 1
L:L:?1 R:R:F331 23.82 1 Yes No 0 3 0 1
R:R:I334 R:R:W339 4.7 1 No Yes 3 7 1 2
R:R:I334 R:R:Y347 3.63 1 No Yes 3 4 1 1
L:L:?1 R:R:I334 7.44 1 Yes No 0 3 0 1
R:R:L343 R:R:W339 10.25 1 No Yes 2 7 2 2
R:R:F344 R:R:W339 3.01 0 No Yes 3 7 1 2
R:R:W339 R:R:Y347 8.68 1 Yes Yes 7 4 2 1
R:R:L343 R:R:Y347 11.72 1 No Yes 2 4 2 1
L:L:?1 R:R:F344 3.18 1 Yes No 0 3 0 1
R:R:F346 R:R:Y347 3.09 0 No Yes 4 4 2 1
L:L:?1 R:R:Y347 11.46 1 Yes Yes 0 4 0 1
R:R:H348 R:R:M352 11.82 0 No No 4 4 1 2
R:R:N355 R:R:Y351 9.3 1 Yes Yes 6 4 2 1
L:L:?1 R:R:Y351 19.87 1 Yes Yes 0 4 0 1
L:L:?1 R:R:H348 2.51 1 Yes No 0 4 0 1
R:R:D345 R:R:F344 1.19 0 No No 3 3 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.75
Average Nodes In Shell28.00
Average Hubs In Shell12.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell33.00
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
6ZIN A Peptide Neurotensin NTS1 Rattus norvegicus SR48692 - - 2.64 2021-02-10 10.1126/sciadv.abe5504

A 2D representation of the interactions of Q6Q in 6ZIN
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:Y145 R:R:Y146 15.89 1 Yes No 6 5 2 1
R:R:M208 R:R:Y146 10.78 1 No No 5 5 1 1
L:L:?1 R:R:Y146 6.88 1 Yes No 0 5 0 1
R:R:E150 R:R:N241 15.77 1 Yes Yes 6 5 2 2
R:R:E150 R:R:R328 5.82 1 Yes Yes 6 6 2 1
R:R:M208 R:R:P227 8.39 1 No No 5 5 1 2
L:L:?1 R:R:M208 3.69 1 Yes No 0 5 0 1
R:R:L234 R:R:P227 6.57 0 No No 5 5 2 2
R:R:F331 R:R:L234 3.65 0 No No 3 5 1 2
R:R:I238 R:R:R328 3.76 0 No Yes 5 6 2 1
R:R:N241 R:R:R328 6.03 1 Yes Yes 5 6 2 1
R:R:R327 R:R:Y324 8.23 1 Yes Yes 5 5 1 2
R:R:R328 R:R:Y324 7.2 1 Yes Yes 6 5 1 2
R:R:F350 R:R:R327 3.21 0 No Yes 5 5 2 1
R:R:R327 R:R:Y351 9.26 1 Yes No 5 4 1 1
R:R:R327 R:R:S354 11.86 1 Yes No 5 5 1 2
R:R:N355 R:R:R327 6.03 1 No Yes 6 5 2 1
L:L:?1 R:R:R327 15.05 1 Yes Yes 0 5 0 1
L:L:?1 R:R:R328 5.54 1 Yes Yes 0 6 0 1
R:R:I334 R:R:M330 4.37 1 No No 3 5 1 1
R:R:F350 R:R:M330 4.98 0 No No 5 5 2 1
L:L:?1 R:R:M330 13.82 1 Yes No 0 5 0 1
L:L:?1 R:R:F331 28.58 1 Yes No 0 3 0 1
L:L:?1 R:R:I334 4.65 1 Yes No 0 3 0 1
L:L:?1 R:R:F344 9.53 1 Yes No 0 3 0 1
R:R:H348 R:R:M352 9.19 0 No No 4 4 1 2
L:L:?1 R:R:H348 3.35 1 Yes No 0 4 0 1
R:R:N355 R:R:Y351 5.81 1 No No 6 4 2 1
L:L:?1 R:R:Y351 23.69 1 Yes No 0 4 0 1
R:R:F344 R:R:T341 2.59 0 No No 3 4 1 2
R:R:D345 R:R:F344 2.39 0 No No 3 3 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub2.00
Average Interaction Strength11.48
Average Nodes In Shell24.00
Average Hubs In Shell7.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell21.00
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
7UL2 A Peptide Neurotensin NTS1 Homo sapiens SR48692 Na - 2.4 2022-06-29 10.1038/s41594-022-00859-8

A 2D representation of the interactions of Q6Q in 7UL2
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:I237 R:R:R323 7.52 0 No Yes 6 6 1 2
R:R:C327 R:R:I237 3.27 8 Yes No 3 6 2 1
L:L:?1 R:R:I237 4.65 1 Yes No 0 6 0 1
R:R:R322 R:R:Y319 3.09 1 Yes No 5 6 1 2
R:R:R323 R:R:Y319 10.29 1 Yes No 6 6 2 2
R:R:R322 R:R:R323 4.26 1 Yes Yes 5 6 1 2
R:R:R322 R:R:Y346 12.35 1 Yes No 5 4 1 1
R:R:R322 R:R:T349 11.64 1 Yes No 5 6 1 2
R:R:N350 R:R:R322 6.03 1 No Yes 6 5 2 1
L:L:?1 R:R:R322 12.67 1 Yes Yes 0 5 0 1
R:R:I329 R:R:M325 4.37 0 No Yes 3 4 2 1
R:R:F345 R:R:M325 7.46 0 No Yes 4 4 2 1
L:L:?1 R:R:M325 8.29 1 Yes Yes 0 4 0 1
L:L:?1 R:R:F326 30.17 1 Yes No 0 4 0 1
R:R:W334 R:R:Y339 5.79 1 No No 4 2 1 1
R:R:W334 R:R:Y342 13.5 1 No Yes 4 4 1 1
L:L:?1 R:R:W334 6.68 1 Yes No 0 4 0 1
R:R:L338 R:R:Y342 4.69 0 No Yes 1 4 2 1
L:L:?1 R:R:Y339 3.06 1 Yes No 0 2 0 1
R:R:F341 R:R:Y342 6.19 0 No Yes 4 4 2 1
L:L:?1 R:R:Y342 8.41 1 Yes Yes 0 4 0 1
R:R:F345 R:R:T349 5.19 0 No No 4 6 2 2
R:R:N350 R:R:Y346 5.81 1 No No 6 4 2 1
L:L:?1 R:R:Y346 12.99 1 Yes No 0 4 0 1
R:R:D340 R:R:Y339 2.3 0 No No 1 2 2 1
R:R:M325 R:R:V321 1.52 0 Yes No 4 5 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength10.86
Average Nodes In Shell20.00
Average Hubs In Shell6.00
Average Links In Shell26.00
Average Links Mediated by Hubs In Shell22.00
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 Links10.00
Average Number Of Links With An Hub3.33
Average Interaction Strength10.70
Average Nodes In Shell24.00
Average Hubs In Shell8.33
Average Links In Shell32.33
Average Links Mediated by Hubs In Shell25.33

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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 🔍)