CodeE2J
NameRitanserin
SynonymsRitanserin
Identifier6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
FormulaC27 H25 F2 N3 O S
Molecular Weight477.569
SMILESCC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3
PubChem5074
Formal Charge0
Total Atoms59
Total Chiral Atoms0
Total Bonds63
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
6BQH A Amine 5-Hydroxytryptamine 5-HT2C Homo sapiens Ritanserin - - 2.7 2018-02-14 10.1016/j.cell.2018.01.001

A 2D representation of the interactions of E2J in 6BQH
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:D134 R:R:V106 7.3 1 No No 8 7 1 2
R:R:V106 R:R:Y358 5.05 1 No Yes 7 8 2 1
R:R:N351 R:R:Y118 15.12 0 Yes No 5 4 1 2
R:R:D134 R:R:Y358 8.05 1 No Yes 8 8 1 1
L:L:?1 R:R:D134 14.95 1 Yes No 0 8 0 1
R:R:S186 R:R:V135 3.23 0 No No 8 6 2 1
R:R:I189 R:R:V135 4.61 0 No No 6 6 2 1
L:L:?1 R:R:V135 6.91 1 Yes No 0 6 0 1
L:L:?1 R:R:S138 12.19 1 Yes No 0 6 0 1
R:R:A222 R:R:T139 5.03 0 No No 7 7 2 1
L:L:?1 R:R:T139 4.27 1 Yes No 0 7 0 1
R:R:I142 R:R:P226 3.39 0 No Yes 8 9 1 2
R:R:F320 R:R:I142 7.54 0 Yes No 9 8 2 1
L:L:?1 R:R:I142 4.96 1 Yes No 0 8 0 1
R:R:T206 R:R:V208 4.76 0 No No 4 4 2 1
L:L:?1 R:R:V208 3.45 1 Yes No 0 4 0 1
R:R:F224 R:R:S219 3.96 0 Yes No 6 7 2 1
R:R:F328 R:R:S219 3.96 1 Yes No 7 7 1 1
L:L:?1 R:R:S219 5.22 1 Yes No 0 7 0 1
R:R:F223 R:R:F224 4.29 1 Yes Yes 8 6 1 2
R:R:F223 R:R:L227 3.65 1 Yes No 8 6 1 2
R:R:F223 R:R:F328 34.29 1 Yes Yes 8 7 1 1
L:L:?1 R:R:F223 4.94 1 Yes Yes 0 8 0 1
R:R:F320 R:R:W324 10.02 0 Yes Yes 9 8 2 1
R:R:F327 R:R:W324 7.02 1 Yes Yes 7 8 1 1
R:R:F328 R:R:W324 5.01 1 Yes Yes 7 8 1 1
R:R:G357 R:R:W324 12.67 0 No Yes 7 8 2 1
L:L:?1 R:R:W324 11.88 1 Yes Yes 0 8 0 1
R:R:F327 R:R:F328 8.57 1 Yes Yes 7 7 1 1
R:R:F327 R:R:N331 7.25 1 Yes No 7 7 1 2
R:R:F327 R:R:L350 4.87 1 Yes No 7 4 1 2
R:R:F327 R:R:V354 5.24 1 Yes Yes 7 7 1 1
L:L:?1 R:R:F327 8.47 1 Yes Yes 0 7 0 1
L:L:?1 R:R:F328 9.88 1 Yes Yes 0 7 0 1
R:R:L350 R:R:N331 5.49 1 No No 4 7 2 2
R:R:E347 R:R:N351 6.57 0 No Yes 3 5 2 1
L:L:?1 R:R:N351 4.78 1 Yes Yes 0 5 0 1
R:R:V354 R:R:W355 3.68 1 Yes Yes 7 7 1 2
R:R:V354 R:R:Y358 6.31 1 Yes Yes 7 8 1 1
L:L:?1 R:R:V354 12.95 1 Yes Yes 0 7 0 1
R:R:W355 R:R:Y358 7.72 1 Yes Yes 7 8 2 1
L:L:?1 R:R:Y358 5.44 1 Yes Yes 0 8 0 1
R:R:V202 R:R:V208 3.21 0 No No 1 4 2 1
L:L:?1 R:R:G218 1.98 1 Yes No 0 7 0 1
R:R:G218 R:R:I217 1.76 0 No No 7 4 1 2
R:R:K348 R:R:N351 1.4 0 No Yes 3 5 2 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub7.00
Average Interaction Strength7.48
Average Nodes In Shell34.00
Average Hubs In Shell12.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell38.00
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 Links15.00
Average Number Of Links With An Hub7.00
Average Interaction Strength7.48
Average Nodes In Shell34.00
Average Hubs In Shell12.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell38.00

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 🔍)