Code8IX
NameN-[(1r,3R,5S,7R)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-D-phenylalanine
Synonyms
Identifier
FormulaC22 H29 N O3
Molecular Weight355.471
SMILES
PubChem
Formal Charge0
Total Atoms55
Total Chiral Atoms3
Total Bonds58
Total Aromatic Bonds6
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7S8P A Orphan Orphan MRGPRX4 Homo Sapiens MS47134 - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 2.6 2021-11-17 10.1038/s41586-021-04126-6

A 2D representation of the interactions of 8IX in 7S8P
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:R82 16.28 4 Yes No 0 4 0 1
L:L:?1 R:R:R95 15.26 4 Yes No 0 7 0 1
L:L:?1 R:R:K96 9.45 4 Yes No 0 5 0 1
L:L:?1 R:R:L98 11.59 4 Yes No 0 4 0 1
L:L:?1 R:R:V99 4.99 4 Yes No 0 5 0 1
L:L:?1 R:R:M102 2.37 4 Yes Yes 0 4 0 1
L:L:?1 R:R:W158 7.63 4 Yes Yes 0 3 0 1
L:L:?1 R:R:Y250 12.76 4 Yes No 0 3 0 1
L:L:?1 R:R:Y254 19.64 4 Yes Yes 0 3 0 1
R:R:F75 R:R:M102 6.22 0 No Yes 6 4 2 1
R:R:F78 R:R:M102 7.46 0 No Yes 6 4 2 1
R:R:Q79 R:R:R82 3.5 26 Yes No 6 4 2 1
R:R:M258 R:R:R82 3.72 4 Yes No 4 4 2 1
R:R:I90 R:R:R95 18.79 0 No No 3 7 2 1
R:R:H92 R:R:R95 13.54 0 No No 6 7 2 1
R:R:K96 R:R:Y240 3.58 0 No No 5 4 1 2
R:R:V99 R:R:W158 8.58 4 No Yes 5 3 1 1
R:R:V99 R:R:Y254 2.52 4 No Yes 5 3 1 1
R:R:M102 R:R:M258 4.33 0 Yes Yes 4 4 1 2
R:R:E157 R:R:T103 2.82 4 Yes Yes 5 4 2 2
R:R:T103 R:R:W158 6.06 4 Yes Yes 4 3 2 1
R:R:F232 R:R:T103 2.59 4 Yes Yes 6 4 2 2
R:R:E157 R:R:W158 4.36 4 Yes Yes 5 3 2 1
R:R:E157 R:R:G236 4.91 4 Yes No 5 4 2 2
R:R:F232 R:R:W158 3.01 4 Yes Yes 6 3 2 1
R:R:G236 R:R:W158 9.85 4 No Yes 4 3 2 1
R:R:W158 R:R:Y254 5.79 4 Yes Yes 3 3 1 1
R:R:F232 R:R:Y254 3.09 4 Yes Yes 6 3 2 1
R:R:F232 R:R:M258 4.98 4 Yes Yes 6 4 2 2
R:R:Y250 R:R:Y254 3.97 4 No Yes 3 3 1 1
R:R:M258 R:R:Y254 7.18 4 Yes Yes 4 3 2 1
R:R:C251 R:R:Y250 1.34 0 No No 2 3 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub3.00
Average Interaction Strength11.11
Average Nodes In Shell22.00
Average Hubs In Shell9.00
Average Links In Shell32.00
Average Links Mediated by Hubs In Shell28.00
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 Links8.50
Average Number Of Links With An Hub2.50
Average Interaction Strength11.65
Average Nodes In Shell20.50
Average Hubs In Shell8.50
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell25.00

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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 🔍)