CodeIYF
Name1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine
Synonyms
Identifier1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1~{H}-indol-3-yl)methylideneamino]guanidine
FormulaC20 H22 Cl N5 O
Molecular Weight383.875
SMILES[H]/N=C(\NCCc1ccc(cc1)Cl)/NN=Cc2c[nH]c3c2cc(cc3CC)O
PubChem138319674
Formal Charge0
Total Atoms49
Total Chiral Atoms0
Total Bonds51
Total Aromatic Bonds16
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
7YK6 A Peptide Relaxin RXFP4 Homo Sapiens PubChem 138319674 - Gi2/Beta1/Gamma2 3.03  2023-03-01 10.1038/s41467-023-36182-z

A 2D representation of the interactions of IYF in 7YK6
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:L94 R:R:Y46 5.86 0 Yes Yes 8 8 2 2
R:R:T295 R:R:Y46 4.99 0 No Yes 6 8 1 2
R:R:H299 R:R:L90 7.71 0 No Yes 7 7 1 2
R:R:H299 R:R:L94 7.71 0 No Yes 7 8 1 2
R:R:E100 R:R:W97 9.81 3 Yes Yes 5 7 1 1
R:R:W107 R:R:W97 2.81 3 Yes Yes 9 7 2 1
R:R:V117 R:R:W97 7.36 0 No Yes 5 7 2 1
R:R:L118 R:R:W97 6.83 3 Yes Yes 5 7 1 1
R:R:T121 R:R:W97 6.06 0 No Yes 6 7 2 1
R:R:C191 R:R:W97 5.22 3 Yes Yes 9 7 2 1
L:L:?1 R:R:W97 7.98 3 Yes Yes 0 7 0 1
R:R:E100 R:R:F105 3.5 3 Yes No 5 4 1 1
R:R:E100 R:R:W107 3.27 3 Yes Yes 5 9 1 2
L:L:?1 R:R:E100 10.83 3 Yes Yes 0 5 0 1
R:R:F105 R:R:L190 13.4 3 No No 4 3 1 2
L:L:?1 R:R:F105 15.64 3 Yes No 0 4 0 1
R:R:C191 R:R:W107 11.75 3 Yes Yes 9 9 2 2
R:R:L118 R:R:T176 2.95 3 Yes Yes 5 4 1 2
R:R:C191 R:R:L118 3.17 3 Yes Yes 9 5 2 1
L:L:?1 R:R:L118 4.85 3 Yes Yes 0 5 0 1
R:R:T173 R:R:V122 3.17 0 No No 7 4 2 1
R:R:T176 R:R:V122 12.69 3 Yes No 4 4 2 1
L:L:?1 R:R:V122 3.48 3 Yes No 0 4 0 1
R:R:T173 R:R:Y126 7.49 0 No Yes 7 7 2 2
R:R:R208 R:R:Y126 5.14 0 No Yes 5 7 1 2
R:R:G183 R:R:L192 3.42 0 No No 1 3 2 1
R:R:L192 R:R:R194 10.93 3 No No 3 4 1 1
L:L:?1 R:R:L192 11.31 3 Yes No 0 3 0 1
R:R:P196 R:R:R194 17.29 0 No No 5 4 2 1
L:L:?1 R:R:R194 4.26 3 Yes No 0 4 0 1
R:R:H263 R:R:R208 4.51 0 Yes No 8 5 2 1
L:L:?1 R:R:R208 4.26 3 Yes No 0 5 0 1
L:L:?1 R:R:T295 6.88 3 Yes No 0 6 0 1
L:L:?1 R:R:H299 6 3 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub3.00
Average Interaction Strength7.55
Average Nodes In Shell25.00
Average Hubs In Shell12.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell29.00
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 Hub3.00
Average Interaction Strength7.55
Average Nodes In Shell25.00
Average Hubs In Shell12.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell29.00

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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 🔍)