CodeIYF
Name1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine
Synonyms
Identifier
FormulaC20 H22 Cl N5 O
Molecular Weight383.875
SMILES
PubChem138319674
Formal Charge0
Total Atoms49
Total Chiral Atoms0
Total Bonds51
Total Aromatic Bonds16
Networks4
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This ligand is also present in the following 4 networks:
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 doi.org/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
L:L:?1 R:R:W97 7.98 3 Yes Yes 0 7 0 1
L:L:?1 R:R:E100 10.83 3 Yes Yes 0 5 0 1
L:L:?1 R:R:F105 15.64 3 Yes No 0 4 0 1
L:L:?1 R:R:L118 4.85 3 Yes Yes 0 5 0 1
L:L:?1 R:R:V122 3.48 3 Yes No 0 4 0 1
L:L:?1 R:R:L192 11.31 3 Yes No 0 3 0 1
L:L:?1 R:R:R194 4.26 3 Yes No 0 4 0 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
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
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
R:R:F105 R:R:L190 13.4 3 No No 4 3 1 2
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
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
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
R:R:P196 R:R:R194 17.29 0 No No 5 4 2 1
R:R:H263 R:R:R208 4.51 0 Yes No 8 5 2 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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9KFJ A Peptide Relaxin RXFP3 Homo Sapiens PubChem 138319674 - Gi2/Beta1/Gamma2 3.1 2025-08-13 doi.org/10.1038/s42003-025-08220-7

A 2D representation of the interactions of IYF in 9KFJ
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
L:L:?1 R:R:W138 37.23 3 Yes Yes 0 7 0 1
L:L:?1 R:R:F146 7.11 3 Yes No 0 4 0 1
L:L:?1 R:R:T162 6.88 3 Yes No 0 7 0 1
L:L:?1 R:R:M166 8.25 3 Yes Yes 0 8 0 1
L:L:?1 R:R:K271 14.82 3 Yes Yes 0 5 0 1
L:L:?1 R:R:W339 5.32 3 Yes Yes 0 9 0 1
L:L:?1 R:R:N342 6.41 3 Yes Yes 0 7 0 1
L:L:?1 R:R:Q367 12.43 3 Yes Yes 0 1 0 1
L:L:?1 R:R:F371 8.53 3 Yes Yes 0 4 0 1
L:L:?1 R:R:V375 10.44 3 Yes Yes 0 6 0 1
L:L:?1 R:R:H379 10.51 3 Yes No 0 7 0 1
R:R:P372 R:R:Y88 4.17 0 No Yes 5 8 2 2
R:R:V375 R:R:Y88 7.57 3 Yes Yes 6 8 1 2
R:R:F131 R:R:M166 3.73 0 Yes Yes 7 8 2 1
R:R:F131 R:R:H379 22.63 0 Yes No 7 7 2 1
R:R:T134 R:R:T162 6.28 0 No No 7 7 2 1
R:R:H379 R:R:L135 16.71 0 No No 7 8 1 2
R:R:E141 R:R:W138 9.81 3 No Yes 6 7 2 1
R:R:W138 R:R:W148 5.62 3 Yes Yes 7 9 1 2
R:R:V158 R:R:W138 4.9 3 No Yes 6 7 2 1
R:R:T162 R:R:W138 7.28 3 No Yes 7 7 1 1
R:R:C247 R:R:W138 3.92 3 No Yes 9 7 2 1
R:R:E141 R:R:F146 5.83 3 No No 6 4 2 1
R:R:E141 R:R:W148 4.36 3 No Yes 6 9 2 2
R:R:F146 R:R:L246 9.74 0 No No 4 4 1 2
R:R:C247 R:R:W148 18.28 3 No Yes 9 9 2 2
R:R:K271 R:R:M166 4.32 3 Yes Yes 5 8 1 1
R:R:M166 R:R:W339 4.65 3 Yes Yes 8 9 1 1
R:R:K271 R:R:N342 4.2 3 Yes Yes 5 7 1 1
R:R:K271 R:R:Q343 12.2 3 Yes Yes 5 8 1 2
R:R:K271 R:R:T346 9.01 3 Yes No 5 5 1 2
R:R:F335 R:R:W339 8.02 0 Yes Yes 8 9 2 1
R:R:Q343 R:R:W339 6.57 0 Yes Yes 8 9 2 1
R:R:A378 R:R:W339 7.78 0 No Yes 7 9 2 1
R:R:N381 R:R:W339 6.78 0 No Yes 9 9 2 1
R:R:N342 R:R:S374 8.94 3 Yes No 7 6 1 2
R:R:N342 R:R:V375 4.43 3 Yes Yes 7 6 1 1
R:R:A378 R:R:N342 3.13 0 No Yes 7 7 2 1
R:R:C366 R:R:Y363 4.03 3 Yes Yes 4 3 2 2
R:R:Q367 R:R:Y363 12.4 3 Yes Yes 1 3 1 2
R:R:C366 R:R:Q367 3.05 3 Yes Yes 4 1 2 1
R:R:F371 R:R:Q367 12.88 3 Yes Yes 4 1 1 1
R:R:F371 R:R:P372 4.33 3 Yes No 4 5 1 2
R:R:F371 R:R:S374 3.96 3 Yes No 4 6 1 2
R:R:F371 R:R:V375 6.55 3 Yes Yes 4 6 1 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub8.00
Average Interaction Strength11.63
Average Nodes In Shell30.00
Average Hubs In Shell16.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell41.00
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 Links10.50
Average Number Of Links With An Hub4.50
Average Interaction Strength9.59
Average Nodes In Shell27.00
Average Hubs In Shell12.00
Average Links In Shell36.75
Average Links Mediated by Hubs In Shell31.25

missing image


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 🔍)