CodeSR9
Name(2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid
Synonyms
Identifier(2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid
FormulaC24 H23 N3 O5 S
Molecular Weight465.522
SMILESCC(C)C[C@@H](C(=O)O)NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3nccc4
PubChem155490996
Formal Charge0
Total Atoms56
Total Chiral Atoms1
Total Bonds59
Total Aromatic Bonds21
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
6Z8N A Peptide Neurotensin NTS1 Rattus norvegicus SRI-9829 - - 2.8 2021-02-10 10.1126/sciadv.abe5504

A 2D representation of the interactions of SR9 in 6Z8N
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:D124 R:R:F128 4.78 1 Yes Yes 7 6 2 1
R:R:D124 R:R:Y145 6.9 1 Yes Yes 7 6 2 2
R:R:D124 R:R:Y351 10.34 1 Yes Yes 7 4 2 1
R:R:D124 R:R:N355 6.73 1 Yes Yes 7 6 2 2
R:R:F128 R:R:W135 5.01 1 Yes Yes 6 9 1 2
R:R:F128 R:R:Y145 9.28 1 Yes Yes 6 6 1 2
R:R:F128 R:R:Y146 7.22 1 Yes Yes 6 5 1 1
R:R:F128 R:R:Y351 11.35 1 Yes Yes 6 4 1 1
L:L:?1 R:R:F128 12.38 1 Yes Yes 0 6 0 1
R:R:H348 R:R:V131 4.15 1 Yes No 4 5 1 1
L:L:?1 R:R:V131 3.79 1 Yes No 0 5 0 1
R:R:Y145 R:R:Y146 13.9 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 14.37 0 No Yes 5 5 2 1
L:L:?1 R:R:Y146 16.38 1 Yes Yes 0 5 0 1
R:R:E150 R:R:M204 8.12 1 Yes No 6 6 2 2
R:R:E150 R:R:R328 5.82 1 Yes Yes 6 6 2 1
R:R:T226 R:R:V224 3.17 0 No No 3 5 2 1
L:L:?1 R:R:V224 8.52 1 Yes No 0 5 0 1
R:R:I238 R:R:R328 6.26 0 No Yes 5 6 2 1
R:R:R327 R:R:Y324 3.09 1 Yes Yes 5 5 1 2
R:R:R328 R:R:Y324 17.49 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 12.35 1 Yes Yes 5 4 1 1
R:R:F350 R:R:R327 13.9 1 Yes Yes 5 5 2 1
R:R:R327 R:R:Y351 14.4 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 6.03 1 Yes Yes 6 5 2 1
L:L:?1 R:R:R327 6.95 1 Yes Yes 0 5 0 1
L:L:?1 R:R:R328 3.09 1 Yes Yes 0 6 0 1
R:R:F331 R:R:W339 4.01 1 No Yes 3 7 1 1
R:R:F331 R:R:Y347 12.38 1 No Yes 3 4 1 1
L:L:?1 R:R:F331 17.8 1 Yes No 0 3 0 1
R:R:L343 R:R:W339 7.97 0 No Yes 2 7 2 1
R:R:F344 R:R:W339 3.01 1 No Yes 3 7 1 1
R:R:W339 R:R:Y347 4.82 1 Yes Yes 7 4 1 1
L:L:?1 R:R:W339 6.51 1 Yes Yes 0 7 0 1
R:R:F344 R:R:H348 3.39 1 No Yes 3 4 1 1
L:L:?1 R:R:F344 18.57 1 Yes No 0 3 0 1
R:R:Y347 R:R:Y351 2.98 1 Yes Yes 4 4 1 1
L:L:?1 R:R:Y347 11.92 1 Yes Yes 0 4 0 1
R:R:H348 R:R:M352 7.88 1 Yes No 4 4 1 2
L:L:?1 R:R:H348 3.27 1 Yes Yes 0 4 0 1
R:R:F350 R:R:S354 3.96 1 Yes No 5 5 2 2
R:R:N355 R:R:Y351 13.96 1 Yes Yes 6 4 2 1
L:L:?1 R:R:Y351 12.66 1 Yes Yes 0 4 0 1
R:R:N355 R:R:S354 4.47 1 Yes No 6 5 2 2
R:R:L213 R:R:V224 1.49 0 No No 2 5 2 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub8.00
Average Interaction Strength10.15
Average Nodes In Shell28.00
Average Hubs In Shell16.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell46.00
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 Hub8.00
Average Interaction Strength10.15
Average Nodes In Shell28.00
Average Hubs In Shell16.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell46.00

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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 🔍)