Code1KQ
NamePF-5190457
SynonymsPF-5190457
Identifier2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1~{R})-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1~{H}-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
FormulaC29 H32 N6 O S
Molecular Weight512.669
SMILESCc1cc(ncn1)c2ccc3c(c2)CC[C@H]3N4CC5(C4)CCN(CC5)C(=O)Cc6cn7cc(sc7n6)C
PubChem58438464
Formal Charge0
Total Atoms69
Total Chiral Atoms1
Total Bonds75
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
7F83 A Peptide Ghrelin Ghrelin Homo sapiens PF-05190457 - - 2.94 2022-01-19 10.1038/s41467-022-27975-9

A 2D representation of the interactions of 1KQ in 7F83
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:F312 R:R:I92 6.28 0 No No 7 7 1 2
R:R:C95 R:R:F119 4.19 0 No Yes 6 4 2 1
R:R:F119 R:R:L98 6.09 1 Yes No 4 5 1 2
R:R:D99 R:R:R102 8.34 1 Yes No 6 5 1 1
R:R:D99 R:R:F309 11.94 1 Yes Yes 6 5 1 2
R:R:D99 R:R:Y313 9.2 1 Yes Yes 6 7 1 2
L:L:?1 R:R:D99 24.56 1 Yes Yes 0 6 0 1
L:L:?1 R:R:R102 9.77 1 Yes No 0 5 0 1
R:R:F111 R:R:L115 7.31 0 No Yes 6 5 2 1
R:R:G112 R:R:L115 5.13 0 No Yes 8 5 2 1
R:R:F119 R:R:L115 3.65 1 Yes Yes 4 5 1 1
L:L:?1 R:R:L115 6.26 1 Yes Yes 0 5 0 1
L:L:?1 R:R:F119 6.12 1 Yes Yes 0 4 0 1
L:L:?1 R:R:Q120 8.7 1 Yes No 0 4 0 1
L:L:?1 R:R:S123 7.55 1 Yes No 0 6 0 1
R:R:T127 R:R:W276 6.06 0 No Yes 7 8 2 1
R:R:F272 R:R:K130 8.69 1 Yes No 9 9 1 2
R:R:F272 R:R:I134 3.77 1 Yes No 9 8 1 2
R:R:F221 R:R:W276 7.02 1 Yes Yes 8 8 2 1
R:R:F221 R:R:H280 16.97 1 Yes Yes 8 7 2 2
R:R:F272 R:R:P224 4.33 1 Yes No 9 9 1 2
R:R:F272 R:R:W276 4.01 1 Yes Yes 9 8 1 1
L:L:?1 R:R:F272 3.67 1 Yes Yes 0 9 0 1
R:R:F279 R:R:W276 7.02 1 Yes Yes 6 8 1 1
R:R:H280 R:R:W276 19.04 1 Yes Yes 7 8 2 1
L:L:?1 R:R:W276 19.46 1 Yes Yes 0 8 0 1
R:R:F279 R:R:H280 7.92 1 Yes Yes 6 7 1 2
R:R:F279 R:R:R283 8.55 1 Yes No 6 6 1 2
R:R:F279 R:R:S308 3.96 1 Yes No 6 7 1 1
L:L:?1 R:R:F279 4.9 1 Yes Yes 0 6 0 1
L:L:?1 R:R:S308 4.53 1 Yes No 0 7 0 1
R:R:F309 R:R:Y313 11.35 1 Yes Yes 5 7 2 2
R:R:F312 R:R:Y313 8.25 0 No Yes 7 7 1 2
L:L:?1 R:R:F312 24.49 1 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength10.91
Average Nodes In Shell26.00
Average Hubs In Shell11.00
Average Links In Shell34.00
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 🔍)
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength10.91
Average Nodes In Shell26.00
Average Hubs In Shell11.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell33.00

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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 🔍)