CodeEIG
NameMitragynine pseudoindoxyl
Synonymsmethyl (2E)-4-[(2S,2'S)-1'-butyl-4-methoxy-3-oxo-1,3-dihydrospiro[indole-2,3'-pyrrolidin]-2'-yl]-2-(methoxymethylidene)butanoate
Identifiermethyl (~{E})-2-[(2~{S},8'~{a}~{S})-6'-ethyl-4-methoxy-3-oxidanylidene-spiro[1~{H}-indole-2,1'-3,5,6,7,8,8~{a}-hexahydro-2~{H}-indolizine]-7'-yl]-3-methoxy-prop-2-enoate
FormulaC23 H30 N2 O5
Molecular Weight414.495
SMILESCCC1CN2CC[C@]3([C@@H]2CC1/C(=C\OC)/C(=O)OC)C(=O)c4c(cccc4OC)N3
PubChem44301701
Formal Charge0
Total Atoms60
Total Chiral Atoms4
Total Bonds63
Total Aromatic Bonds6
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
7T2G A Peptide Opioid MOP Mus musculus Mitragynine pseudoindoxyl - Gi1/Beta1/Gamma2 2.5 2022-12-07  10.1038/s41589-022-01208-y

A 2D representation of the interactions of EIG in 7T2G
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:I71 R:R:Y128 20.55 2 No No 4 5 2 2
R:R:H319 R:R:I71 15.91 2 Yes No 4 4 1 2
R:R:L121 R:R:Y75 3.52 2 Yes Yes 7 7 2 1
R:R:H319 R:R:Y75 10.89 2 Yes Yes 4 7 1 1
R:R:I322 R:R:Y75 9.67 2 Yes Yes 5 7 1 1
L:L:?1 R:R:Y75 12.45 2 Yes Yes 0 7 0 1
R:R:D147 R:R:T120 7.23 2 No No 6 6 1 2
R:R:L121 R:R:Y326 17.58 2 Yes No 7 7 2 1
R:R:N127 R:R:Q124 3.96 0 No No 6 6 2 1
L:L:?1 R:R:Q124 24.95 2 Yes No 0 6 0 1
R:R:H319 R:R:Y128 14.16 2 Yes No 4 5 1 2
R:R:D147 R:R:Y326 11.49 2 No No 6 7 1 1
L:L:?1 R:R:D147 24.59 2 Yes No 0 6 0 1
R:R:I198 R:R:Y148 3.63 0 No Yes 4 4 2 1
R:R:V202 R:R:Y148 15.14 2 No Yes 5 4 2 1
R:R:L219 R:R:Y148 3.52 2 No Yes 5 4 2 1
R:R:L232 R:R:Y148 7.03 0 No Yes 5 4 2 1
L:L:?1 R:R:Y148 12.45 2 Yes Yes 0 4 0 1
R:R:F152 R:R:M151 4.98 2 Yes Yes 7 7 2 1
R:R:M151 R:R:V236 6.09 2 Yes No 7 5 1 2
R:R:M151 R:R:W293 6.98 2 Yes Yes 7 8 1 2
L:L:?1 R:R:M151 3.53 2 Yes Yes 0 7 0 1
R:R:F152 R:R:I198 12.56 2 Yes No 7 4 2 2
R:R:F152 R:R:V236 3.93 2 Yes No 7 5 2 2
R:R:L219 R:R:V202 5.96 2 No No 5 5 2 2
R:R:K233 R:R:V300 4.55 0 Yes No 4 5 2 1
R:R:F237 R:R:H297 4.53 0 No Yes 5 8 2 1
R:R:F241 R:R:H297 18.1 0 Yes Yes 8 8 2 1
R:R:H297 R:R:W293 9.52 0 Yes Yes 8 8 1 2
R:R:I296 R:R:W318 4.7 2 Yes Yes 6 5 1 2
R:R:C321 R:R:I296 3.27 0 No Yes 6 6 2 1
R:R:I296 R:R:I322 5.89 2 Yes Yes 6 5 1 1
L:L:?1 R:R:I296 8.92 2 Yes Yes 0 6 0 1
L:L:?1 R:R:H297 4.82 2 Yes Yes 0 8 0 1
R:R:V300 R:R:W318 4.9 0 No Yes 5 5 1 2
L:L:?1 R:R:V300 3.72 2 Yes No 0 5 0 1
R:R:H319 R:R:W318 5.29 2 Yes Yes 4 5 1 2
R:R:I322 R:R:W318 10.57 2 Yes Yes 5 5 1 2
L:L:?1 R:R:H319 5.62 2 Yes Yes 0 4 0 1
L:L:?1 R:R:I322 11.6 2 Yes Yes 0 5 0 1
L:L:?1 R:R:Y326 16.85 2 Yes No 0 7 0 1
R:R:A323 R:R:Y75 2.67 0 No Yes 4 7 2 1
R:R:S125 R:R:Y75 2.54 0 No Yes 6 7 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength11.77
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell43.00
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 Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength11.77
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell43.00
Average Links Mediated by Hubs In Shell38.00

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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 🔍)