CodeJ5F
Name(1R,2R)-N-[(2S,3S)-2-azanyl-3-methyl-pentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide
Synonyms
Identifier(1~{R},2~{R})-~{N}-[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]-~{N}-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide
FormulaC30 H37 N3 O
Molecular Weight455.634
SMILESCCCc1ccc(cc1)c2ccc(cc2)N(C[C@H]([C@@H](C)CC)N)C(=O)[C@@H]3C[C@H]3c4ccccn4
PubChem58466521
Formal Charge0
Total Atoms71
Total Chiral Atoms4
Total Bonds74
Total Aromatic Bonds18
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
7EJX A Orphan A orphans GPR88 Homo sapiens - (1R;2R)-2-PCCA Gi1/Beta1/Gamma2 2.4 2022-04-13 10.1038/s41467-022-30081-5

A 2D representation of the interactions of J5F in 7EJX
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:C290 R:R:L209 3.17 0 No No 8 4 1 2
R:R:V286 R:R:Y212 6.31 0 No Yes 8 9 1 2
R:R:C290 R:R:Y212 4.03 0 No Yes 8 9 1 2
R:R:L213 W:W:?1 5.2 0 No Yes 4 0 1 0
R:R:V216 W:W:?1 13.07 0 No Yes 6 0 1 0
A:A:L348 R:R:V219 5.96 22 No No 9 8 1 1
R:R:V219 W:W:?1 14 22 No Yes 8 0 1 0
R:R:R220 W:W:?1 4.57 0 No Yes 6 0 1 0
R:R:R280 R:R:S282 5.27 0 No No 5 9 2 1
R:R:G283 W:W:?1 9.65 0 No Yes 7 0 1 0
A:A:L353 R:R:V286 5.96 3 Yes No 7 8 2 1
R:R:V286 W:W:?1 5.6 0 No Yes 8 0 1 0
R:R:C291 R:R:L287 3.17 0 No No 6 6 2 1
R:R:L287 W:W:?1 9.54 0 No Yes 6 0 1 0
R:R:C290 W:W:?1 6.96 0 No Yes 8 0 1 0
A:A:F354 A:A:L348 6.09 0 No No 5 9 2 1
A:A:L348 W:W:?1 5.2 22 No Yes 9 0 1 0
R:R:S282 W:W:?1 2.82 0 No Yes 9 0 1 0
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub0.00
Average Interaction Strength7.66
Average Nodes In Shell17.00
Average Hubs In Shell3.00
Average Links In Shell18.00
Average Links Mediated by Hubs In Shell13.00
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 Hub0.00
Average Interaction Strength7.66
Average Nodes In Shell17.00
Average Hubs In Shell3.00
Average Links In Shell18.00
Average Links Mediated by Hubs In Shell13.00

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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 🔍)