CodeIYM
Name[(1S)-7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-yl-methanone
Synonyms
Identifier[(1~{S})-7-ethoxy-6-methoxy-1-[2-(5-methoxy-1~{H}-indol-3-yl)ethyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]-morpholin-4-yl-methanone
FormulaC28 H35 N3 O5
Molecular Weight493.595
SMILESCCOc1cc2c(cc1OC)CCN([C@H]2CCc3c[nH]c4c3cc(cc4)OC)C(=O)N5CCOCC5
PubChem166625060
Formal Charge0
Total Atoms71
Total Chiral Atoms1
Total Bonds75
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
7YK7 A Peptide Relaxin RXFP4 Homo Sapiens DC591053 - Gi2/Beta1/Gamma2 2.75  2023-03-01 10.1038/s41467-023-36182-z

A 2D representation of the interactions of IYM in 7YK7
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 6.24 4 No Yes 6 8 1 2
R:R:L90 R:R:T121 4.42 4 Yes No 7 6 2 2
R:R:H299 R:R:L90 7.71 4 Yes Yes 7 7 1 2
R:R:H299 R:R:L94 7.71 4 Yes Yes 7 8 1 2
R:R:E100 R:R:W97 5.45 0 No Yes 5 7 2 1
R:R:V117 R:R:W97 4.9 0 No Yes 5 7 2 1
R:R:T121 R:R:W97 7.28 4 No Yes 6 7 2 1
L:L:?1 R:R:W97 3.08 4 Yes Yes 0 7 0 1
R:R:E100 R:R:F105 9.33 0 No No 5 4 2 1
L:L:?1 R:R:F105 5.49 4 Yes No 0 4 0 1
R:R:L118 R:R:V122 2.98 4 No No 5 4 1 2
R:R:L118 R:R:L193 2.77 4 No Yes 5 5 1 1
L:L:?1 R:R:L118 6.24 4 Yes No 0 5 0 1
R:R:T176 R:R:V122 9.52 0 No No 4 4 2 2
R:R:T176 R:R:Y204 11.24 0 No Yes 4 5 2 1
R:R:L192 R:R:R194 8.5 0 Yes No 3 4 2 1
R:R:L193 R:R:Y204 4.69 4 Yes Yes 5 5 1 1
L:L:?1 R:R:L193 9.98 4 Yes Yes 0 5 0 1
L:L:?1 R:R:R194 6.57 4 Yes No 0 4 0 1
R:R:Q205 R:R:Y204 6.76 4 Yes Yes 5 5 1 1
L:L:?1 R:R:Y204 8.45 4 Yes Yes 0 5 0 1
R:R:Q205 R:R:R208 3.5 4 Yes Yes 5 5 1 1
R:R:Q205 R:R:T266 7.09 4 Yes No 5 5 1 2
R:R:Q205 R:R:V270 7.16 4 Yes No 5 6 1 2
L:L:?1 R:R:Q205 13.19 4 Yes Yes 0 5 0 1
R:R:N262 R:R:R208 6.03 0 No Yes 7 5 2 1
R:R:H263 R:R:R208 4.51 0 Yes Yes 8 5 2 1
R:R:R208 R:R:T266 3.88 4 Yes No 5 5 1 2
L:L:?1 R:R:R208 13.13 4 Yes Yes 0 5 0 1
R:R:N262 R:R:T294 5.85 0 No Yes 7 7 2 2
R:R:F291 R:R:V265 6.55 4 No No 4 4 1 2
R:R:T294 R:R:V265 4.76 4 Yes No 7 4 2 2
R:R:F291 R:R:T294 5.19 4 No Yes 4 7 1 2
L:L:?1 R:R:F291 5.49 4 Yes No 0 4 0 1
R:R:H299 R:R:T295 2.74 4 Yes No 7 6 1 1
L:L:?1 R:R:T295 7.97 4 Yes No 0 6 0 1
L:L:?1 R:R:H299 3.48 4 Yes Yes 0 7 0 1
R:R:F179 R:R:L193 2.44 0 Yes Yes 4 5 2 1
R:R:L193 R:R:L201 1.38 4 Yes No 5 4 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.55
Average Nodes In Shell29.00
Average Hubs In Shell14.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell36.00
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 Strength7.55
Average Nodes In Shell29.00
Average Hubs In Shell14.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell36.00

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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 🔍)