CodeNRZ
Name(2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide
Synonyms
Identifier(2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide
FormulaC20 H24 N2 O4 S
Molecular Weight388.481
SMILESCc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)c3ccc(cc3)OC)C
PubChem40924317
Formal Charge0
Total Atoms51
Total Chiral Atoms1
Total Bonds53
Total Aromatic Bonds12
Networks1
 missing image

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
6TP4 A Peptide Orexin OX1 Homo sapiens ACT-462206 - - 3.01 2020-01-01 10.1021/acs.jmedchem.9b01787

A 2D representation of the interactions of NRZ in 6TP4
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:C99 R:R:Q126 6.1 1 No Yes 8 8 2 1
R:R:C99 R:R:Y348 4.03 1 No Yes 8 7 2 2
R:R:I122 R:R:W112 3.52 1 No Yes 6 8 1 2
R:R:I122 R:R:P123 3.39 1 No No 6 6 1 1
L:L:?1 R:R:I122 4.83 1 Yes No 0 6 0 1
R:R:M183 R:R:P123 8.39 0 No No 4 6 2 1
L:L:?1 R:R:P123 13.89 1 Yes No 0 6 0 1
R:R:Q126 R:R:Y348 4.51 1 Yes Yes 8 7 1 2
L:L:?1 R:R:Q126 9.01 1 Yes Yes 0 8 0 1
R:R:F219 R:R:M176 3.73 0 Yes Yes 6 8 1 2
R:R:E204 R:R:Q179 6.37 2 Yes No 5 7 2 1
R:R:Q179 R:R:Y215 9.02 0 No Yes 7 7 1 2
L:L:?1 R:R:Q179 12.38 1 Yes No 0 7 0 1
R:R:E204 R:R:M183 4.06 2 Yes No 5 4 2 2
R:R:F219 R:R:Y215 4.13 0 Yes Yes 6 7 1 2
R:R:F219 R:R:T223 12.97 0 Yes No 6 6 1 2
L:L:?1 R:R:F219 10.3 1 Yes Yes 0 6 0 1
R:R:S315 R:R:Y224 7.63 0 No Yes 7 8 1 2
R:R:I314 R:R:N318 4.25 1 Yes No 7 7 1 1
R:R:I314 R:R:S343 9.29 1 Yes No 7 6 1 2
R:R:H344 R:R:I314 3.98 0 Yes Yes 7 7 2 1
L:L:?1 R:R:I314 8.45 1 Yes Yes 0 7 0 1
L:L:?1 R:R:S315 7.62 1 Yes No 0 7 0 1
L:L:?1 R:R:N318 9.29 1 Yes No 0 7 0 1
R:R:Q126 R:R:S129 2.89 1 Yes No 8 7 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.47
Average Nodes In Shell21.00
Average Hubs In Shell11.00
Average Links In Shell25.00
Average Links Mediated by Hubs In Shell23.00
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 Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength9.47
Average Nodes In Shell21.00
Average Hubs In Shell11.00
Average Links In Shell25.00
Average Links Mediated by Hubs In Shell23.00

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 🔍)