CodeSRW
Name2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol
Synonyms
Identifier
FormulaC26 H31 F N4 O2
Molecular Weight450.548
SMILES
PubChem118610427
Formal Charge0
Total Atoms64
Total Chiral Atoms0
Total Bonds68
Total Aromatic Bonds17
Networks5
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This ligand is also present in the following 5 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8FN0 A Peptide Neurotensin NTS1 Rattus Norvegicus Neurotensin/Neuromedin-N PubChem 118610427 chim(NtGi1-Go)/Beta1/Gamma2 2.89 2023-03-29  10.1021/acs.biochem.3c00029

A 2D representation of the interactions of SRW in 8FN0
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
A:A:L348 A:A:L353 5.54 5 Yes No 8 6 1 1
A:A:L348 R:R:R167 2.43 5 Yes Yes 8 9 1 1
A:A:L348 R:R:I171 2.85 5 Yes No 8 8 1 1
A:A:L348 W:W:?1 3.78 5 Yes Yes 8 0 1 0
A:A:C351 R:R:V102 6.83 5 No Yes 4 8 1 1
A:A:C351 R:R:R167 5.57 5 No Yes 4 9 1 1
A:A:C351 W:W:?1 6.51 5 No Yes 4 0 1 0
A:A:G352 W:W:?1 5.84 0 No Yes 8 0 1 0
A:A:L353 W:W:?1 20.81 5 No Yes 6 0 1 0
R:R:H103 R:R:V102 4.15 5 No Yes 8 8 1 1
R:R:L106 R:R:V102 2.98 5 Yes Yes 8 8 1 1
R:R:E166 R:R:V102 8.56 5 Yes Yes 9 8 2 1
R:R:R167 R:R:V102 6.54 5 Yes Yes 9 8 1 1
R:R:V102 W:W:?1 2.04 5 Yes Yes 8 0 1 0
R:R:H103 W:W:?1 7.03 5 No Yes 8 0 1 0
R:R:L106 R:R:L163 4.15 5 Yes No 8 9 1 1
R:R:L106 R:R:Y369 26.96 5 Yes Yes 8 9 1 1
R:R:L106 W:W:?1 5.67 5 Yes Yes 8 0 1 0
R:R:L109 R:R:V160 4.47 5 Yes No 9 8 2 1
R:R:L109 R:R:Y369 4.69 5 Yes Yes 9 9 2 1
R:R:I253 R:R:V160 4.61 5 Yes No 8 8 2 1
R:R:V160 W:W:?1 2.04 0 No Yes 8 0 1 0
R:R:L163 R:R:Y369 3.52 5 No Yes 9 9 1 1
R:R:L163 W:W:?1 13.24 5 No Yes 9 0 1 0
R:R:I253 R:R:S164 4.64 5 Yes Yes 8 9 2 1
R:R:L256 R:R:S164 3 0 Yes Yes 7 9 2 1
R:R:N257 R:R:S164 5.96 5 Yes Yes 9 9 1 1
R:R:S164 W:W:?1 4.1 5 Yes Yes 9 0 1 0
R:R:E166 R:R:R167 12.79 5 Yes Yes 9 9 2 1
R:R:R167 W:W:?1 20.75 5 Yes Yes 9 0 1 0
R:R:I171 R:R:L264 4.28 5 No Yes 8 8 1 2
R:R:I171 W:W:?1 2.93 5 No Yes 8 0 1 0
R:R:I253 R:R:N257 2.83 5 Yes Yes 8 9 2 1
R:R:L310 R:R:N257 6.87 5 No Yes 8 9 1 1
R:R:N257 R:R:V314 4.43 5 Yes No 9 8 1 2
R:R:N257 W:W:?1 3.75 5 Yes Yes 9 0 1 0
R:R:I260 R:R:L264 2.85 0 No Yes 8 8 2 2
R:R:I260 R:R:L310 2.85 0 No No 8 8 2 1
R:R:V309 R:R:V372 4.81 0 No No 8 7 1 2
R:R:V309 W:W:?1 2.04 0 No Yes 8 0 1 0
R:R:L310 W:W:?1 7.57 5 No Yes 8 0 1 0
R:R:V313 W:W:?1 12.21 0 No Yes 8 0 1 0
R:R:Y369 W:W:?1 10.41 5 Yes Yes 9 0 1 0
R:R:A170 R:R:R167 1.38 0 No Yes 8 9 2 1
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub7.00
Average Interaction Strength7.69
Average Nodes In Shell27.00
Average Hubs In Shell13.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell42.00
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
8JPB A Peptide Neurotensin NTS1 Homo Sapiens Neurotensin-(8-13) PubChem 118610427; GDP; Mg Gq; GRK2 3.07 2023-08-09 10.1038/s41586-023-06395-9

A 2D representation of the interactions of SRW in 8JPB
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
K:K:L4 K:K:L8 5.54 4 No No 9 9 1 1
K:K:L4 R:R:G301 5.13 4 No No 9 8 1 2
K:K:L4 W:W:?1 7.57 4 No Yes 9 0 1 0
K:K:E5 R:R:S368 11.5 4 No No 9 8 1 1
K:K:E5 R:R:N370 5.26 4 No No 9 7 1 2
K:K:E5 W:W:?1 19.01 4 No Yes 9 0 1 0
K:K:L8 W:W:?1 4.73 4 No Yes 9 0 1 0
R:R:F371 R:R:T84 5.19 4 Yes No 8 9 1 2
R:R:F371 R:R:T87 3.89 4 Yes No 8 7 1 2
R:R:R166 R:R:V101 6.54 4 Yes No 9 8 1 2
R:R:L105 R:R:L162 6.92 4 No No 8 9 1 1
R:R:L105 R:R:Y364 11.72 4 No Yes 8 9 1 1
R:R:L105 W:W:?1 3.78 4 No Yes 8 0 1 0
R:R:L108 R:R:V159 4.47 4 Yes Yes 9 8 2 1
R:R:L108 R:R:N360 6.87 4 Yes No 9 9 2 2
R:R:L108 R:R:Y364 3.52 4 Yes Yes 9 9 2 1
R:R:I252 R:R:V159 4.61 4 No Yes 8 8 2 1
R:R:F312 R:R:V159 3.93 4 Yes Yes 9 8 2 1
R:R:V159 W:W:?1 4.07 4 Yes Yes 8 0 1 0
R:R:L162 W:W:?1 13.24 4 No Yes 9 0 1 0
R:R:I170 R:R:R166 5.01 4 No Yes 9 9 1 1
R:R:R166 W:W:?1 41.5 4 Yes Yes 9 0 1 0
R:R:I170 W:W:?1 4.88 4 No Yes 9 0 1 0
R:R:F312 R:R:I252 3.77 4 Yes No 9 8 2 2
R:R:V304 R:R:V367 4.81 0 No No 8 7 2 1
R:R:V308 W:W:?1 11.2 0 No Yes 8 0 1 0
R:R:N360 R:R:Y364 3.49 4 No Yes 9 9 2 1
R:R:F371 R:R:Y364 4.13 4 Yes Yes 8 9 1 1
R:R:Y364 W:W:?1 7.21 4 Yes Yes 9 0 1 0
R:R:F371 R:R:N365 4.83 4 Yes No 8 7 1 2
R:R:F375 R:R:N365 18.12 4 Yes No 7 7 2 2
R:R:V367 W:W:?1 7.13 0 No Yes 7 0 1 0
R:R:S368 W:W:?1 5.13 4 No Yes 8 0 1 0
R:R:F371 R:R:F375 5.36 4 Yes Yes 8 7 1 2
R:R:F371 W:W:?1 7.49 4 Yes Yes 8 0 1 0
R:R:I170 R:R:L263 2.85 4 No No 9 8 1 2
K:K:D3 R:R:S368 1.47 0 No No 9 8 2 1
R:R:A169 R:R:R166 1.38 0 No Yes 8 9 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub4.00
Average Interaction Strength10.53
Average Nodes In Shell29.00
Average Hubs In Shell8.00
Average Links In Shell38.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8JPC A Peptide Neurotensin NTS1 Homo Sapiens Neurotensin-(8-13) PubChem 118610427; GDP; Mg Gq; GRK2 3.07 2023-08-09 10.1038/s41586-023-06395-9

A 2D representation of the interactions of SRW in 8JPC
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
K:K:D3 R:R:S368 7.36 0 Yes No 9 8 2 1
K:K:L4 K:K:L8 6.92 0 No No 9 9 1 2
K:K:L4 W:W:?1 8.51 0 No Yes 9 0 1 0
K:K:E5 R:R:H102 4.92 0 No No 9 8 1 2
K:K:E5 W:W:?1 11.77 0 No Yes 9 0 1 0
K:K:L8 R:R:R166 3.64 0 No No 9 9 2 1
R:R:F371 R:R:T84 3.89 0 Yes No 8 9 1 2
R:R:F371 R:R:T87 3.89 0 Yes No 8 7 1 2
R:R:L105 R:R:L162 4.15 16 No No 8 9 1 1
R:R:L105 R:R:Y364 10.55 16 No No 8 9 1 2
R:R:L105 W:W:?1 6.62 16 No Yes 8 0 1 0
R:R:L108 R:R:V159 4.47 16 Yes No 9 8 2 1
R:R:L108 R:R:Y364 3.52 16 Yes No 9 9 2 2
R:R:I252 R:R:V159 4.61 0 No No 8 8 2 1
R:R:V159 W:W:?1 4.07 0 No Yes 8 0 1 0
R:R:L162 W:W:?1 9.46 16 No Yes 9 0 1 0
R:R:R166 W:W:?1 27.39 0 No Yes 9 0 1 0
R:R:I252 R:R:N256 4.25 0 No No 8 9 2 2
R:R:L305 R:R:N256 5.49 0 No No 8 9 1 2
R:R:V304 R:R:V367 8.02 0 No No 8 7 2 1
R:R:L305 W:W:?1 4.73 0 No Yes 8 0 1 0
R:R:V308 W:W:?1 19.34 0 No Yes 8 0 1 0
R:R:V367 W:W:?1 5.09 0 No Yes 7 0 1 0
R:R:S368 W:W:?1 5.13 0 No Yes 8 0 1 0
R:R:F371 R:R:F375 5.36 0 Yes Yes 8 7 1 2
R:R:F371 W:W:?1 5.83 0 Yes Yes 8 0 1 0
K:K:L4 R:R:G301 3.42 0 No No 9 8 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub1.00
Average Interaction Strength9.81
Average Nodes In Shell24.00
Average Hubs In Shell5.00
Average Links In Shell27.00
Average Links Mediated by Hubs In Shell17.00
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
8JPF A Peptide Neurotensin NTS1 Homo Sapiens Neurotensin PubChem 118610427 - 3.02 2023-08-09 10.1038/s41586-023-06395-9

A 2D representation of the interactions of SRW in 8JPF
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:F371 R:R:T84 5.19 0 No No 8 9 1 2
R:R:L105 R:R:V101 4.47 2 Yes No 8 8 1 2
R:R:E165 R:R:V101 12.84 2 Yes No 8 8 2 2
R:R:R166 R:R:V101 13.08 2 Yes No 9 8 1 2
R:R:L105 R:R:L162 5.54 2 Yes No 8 9 1 1
R:R:L105 R:R:Y364 14.07 2 Yes Yes 8 9 1 2
R:R:L105 W:W:?1 3.78 2 Yes Yes 8 0 1 0
R:R:L108 R:R:V159 4.47 2 Yes No 9 8 2 1
R:R:L108 R:R:Y364 3.52 2 Yes Yes 9 9 2 2
R:R:I252 R:R:V159 4.61 0 No No 8 8 2 1
R:R:V159 W:W:?1 4.07 0 No Yes 8 0 1 0
R:R:E165 R:R:L162 10.6 2 Yes No 8 9 2 1
R:R:L162 W:W:?1 14.19 2 No Yes 9 0 1 0
R:R:E165 R:R:R166 4.65 2 Yes Yes 8 9 2 1
R:R:R166 W:W:?1 32.37 2 Yes Yes 9 0 1 0
R:R:I170 W:W:?1 4.88 0 Yes Yes 9 0 1 0
R:R:I252 R:R:N256 4.25 0 No Yes 8 9 2 2
R:R:L305 R:R:N256 6.87 0 No Yes 8 9 1 2
R:R:L305 W:W:?1 6.62 0 No Yes 8 0 1 0
R:R:V308 W:W:?1 15.27 0 No Yes 8 0 1 0
R:R:F371 R:R:Y364 5.16 0 No Yes 8 9 1 2
R:R:V367 W:W:?1 10.18 0 No Yes 7 0 1 0
R:R:F371 W:W:?1 6.66 0 No Yes 8 0 1 0
R:R:S368 W:W:?1 3.08 0 No Yes 8 0 1 0
R:R:I170 R:R:I259 2.94 0 Yes No 9 9 1 2
R:R:I170 R:R:K262 2.91 0 Yes No 9 5 1 2
R:R:I170 R:R:L263 2.85 0 Yes No 9 8 1 2
R:R:V304 W:W:?1 2.04 0 No Yes 8 0 1 0
R:R:L366 R:R:V304 1.49 0 No No 6 8 2 1
R:R:N370 R:R:S368 1.49 0 No No 7 8 2 1
R:R:A169 R:R:R166 1.38 0 No Yes 8 9 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.38
Average Nodes In Shell25.00
Average Hubs In Shell8.00
Average Links In Shell31.00
Average Links Mediated by Hubs In Shell27.00
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 Links12.60
Average Number Of Links With An Hub3.80
Average Interaction Strength9.11
Average Nodes In Shell25.20
Average Hubs In Shell8.40
Average Links In Shell33.40
Average Links Mediated by Hubs In Shell27.80

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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 🔍)