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
FormulaC30 H37 N3 O
Molecular Weight455.634
SMILES
PubChem58466521
Formal Charge0
Total Atoms71
Total Chiral Atoms4
Total Bonds74
Total Aromatic Bonds18
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
7EJX A Orphan Orphan 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
A:A:F354 A:A:L348 6.09 0 No No 5 9 2 1
A:A:L348 R:R:V219 5.96 25 No No 9 8 1 1
A:A:L348 W:W:?1 5.2 25 No Yes 9 0 1 0
A:A:L353 R:R:V286 5.96 3 Yes No 7 8 2 1
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
R:R:V219 W:W:?1 14 25 No Yes 8 0 1 0
R:R:R220 W:W:?1 4.57 0 No Yes 6 0 1 0
R:R:G283 W:W:?1 9.65 0 No Yes 7 0 1 0
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
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub0.00
Average Interaction Strength8.20
Average Nodes In Shell15.00
Average Hubs In Shell3.00
Average Links In Shell16.00
Average Links Mediated by Hubs In Shell12.00
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 Links9.00
Average Number Of Links With An Hub0.00
Average Interaction Strength8.07
Average Nodes In Shell15.00
Average Hubs In Shell2.50
Average Links In Shell15.50
Average Links Mediated by Hubs In Shell11.50

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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 🔍)