CodeSR5
Name(2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid
Synonyms
Identifier(2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid
FormulaC27 H27 Cl N4 O5
Molecular Weight522.98
SMILESCC(C)C[C@@H](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC
PubChem44157038
Formal Charge0
Total Atoms64
Total Chiral Atoms1
Total Bonds67
Total Aromatic Bonds22
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
6ZA8 A Peptide Neurotensin NTS1 Rattus norvegicus RTI-3a - - 2.72 2021-02-10 10.1126/sciadv.abe5504

A 2D representation of the interactions of SR5 in 6ZA8
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:A120 R:R:R149 4.15 0 No Yes 6 7 2 1
R:R:D124 R:R:F128 4.78 1 Yes Yes 7 6 2 1
R:R:D124 R:R:Y145 3.45 1 Yes Yes 7 6 2 2
R:R:D124 R:R:R149 4.76 1 Yes Yes 7 7 2 1
R:R:D124 R:R:Y351 9.2 1 Yes Yes 7 4 2 1
R:R:D124 R:R:N355 6.73 1 Yes Yes 7 6 2 2
R:R:D124 R:R:Y359 10.34 1 Yes Yes 7 7 2 2
R:R:F128 R:R:W135 5.01 1 Yes Yes 6 9 1 2
R:R:F128 R:R:Y145 6.19 1 Yes Yes 6 6 1 2
R:R:F128 R:R:Y146 5.16 1 Yes Yes 6 5 1 1
R:R:F128 R:R:Y351 10.32 1 Yes Yes 6 4 1 1
L:L:?1 R:R:F128 8.61 1 Yes Yes 0 6 0 1
L:L:?1 R:R:H132 15.15 1 Yes No 0 5 0 1
R:R:C225 R:R:W135 14.37 1 No Yes 9 9 2 2
R:R:Y145 R:R:Y146 12.91 1 Yes Yes 6 5 2 1
R:R:R149 R:R:Y145 18.52 1 Yes Yes 7 6 1 2
R:R:M204 R:R:Y146 4.79 0 No Yes 6 5 2 1
R:R:M208 R:R:Y146 15.57 0 No Yes 5 5 2 1
R:R:C225 R:R:Y146 4.03 1 No Yes 9 5 2 1
L:L:?1 R:R:Y146 11.05 1 Yes Yes 0 5 0 1
R:R:R149 R:R:Y324 15.43 1 Yes Yes 7 5 1 2
R:R:N355 R:R:R149 8.44 1 Yes Yes 6 7 2 1
R:R:R149 R:R:Y359 6.17 1 Yes Yes 7 7 1 2
L:L:?1 R:R:R149 6.44 1 Yes Yes 0 7 0 1
R:R:E150 R:R:M204 5.41 0 Yes No 6 6 2 2
R:R:E150 R:R:R328 10.47 0 Yes Yes 6 6 2 1
R:R:I238 R:R:R328 6.26 1 No Yes 5 6 2 1
R:R:R328 R:R:Y324 18.52 1 Yes Yes 6 5 1 2
R:R:R327 R:R:R328 3.2 1 Yes Yes 5 6 1 1
R:R:R327 R:R:Y347 13.38 1 Yes Yes 5 4 1 1
R:R:F350 R:R:R327 8.55 1 Yes Yes 5 5 2 1
R:R:R327 R:R:Y351 15.43 1 Yes Yes 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 Yes Yes 6 5 2 1
L:L:?1 R:R:R327 7.88 1 Yes Yes 0 5 0 1
L:L:?1 R:R:R328 5.73 1 Yes Yes 0 6 0 1
R:R:F331 R:R:Y347 11.35 1 No Yes 3 4 1 1
L:L:?1 R:R:F331 27.99 1 Yes No 0 3 0 1
R:R:W339 R:R:Y347 7.72 0 No Yes 7 4 2 1
R:R:Y347 R:R:Y351 3.97 1 Yes Yes 4 4 1 1
L:L:?1 R:R:Y347 13.82 1 Yes Yes 0 4 0 1
R:R:H348 R:R:Y349 10.89 0 No No 4 1 1 2
R:R:H348 R:R:M352 9.19 0 No No 4 4 1 2
L:L:?1 R:R:H348 3.79 1 Yes No 0 4 0 1
R:R:N355 R:R:Y351 10.47 1 Yes Yes 6 4 2 1
L:L:?1 R:R:Y351 20.04 1 Yes Yes 0 4 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength12.05
Average Nodes In Shell28.00
Average Hubs In Shell16.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell44.00
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 Hub7.00
Average Interaction Strength12.05
Average Nodes In Shell28.00
Average Hubs In Shell16.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell44.00

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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 🔍)