LigRMSD: A web server for automatic structure matching and RMSD calculations among identical and similar compounds in protein-ligand docking

References: 1t4v_reference 2r2m_reference 3ldx_referencia

References with error:

Reference: 3ldx_referencia

2r2m_docking

3D viewer superposition

Red: 3ldx_referencia.mol | Blue: 2r2m_docking.mol

Results
RMSD Percent of ref match Percent of molecule match
1.14
100.00
100.00

Visualization

Reference Molecule
Line
Number		Reference
3ldx_referencia
Elements		XYZMolecule
2r2m_docking
Elements		XYZ
1C19.7621-13.324919.8073Cl19.7442-12.933419.7773
2C19.0656-14.0420.9303C19.0028-13.866221.025
3C19.499-15.231721.3551C19.7634-14.899721.597
4N18.9476-15.979222.3569C19.235-15.69222.6289
5C17.9099-15.489822.9676C17.9433-15.42923.1178
6C17.3479-14.127122.591C17.1742-14.394722.5403
7N17.9676-13.470421.5413C17.6857-13.608321.4823
8C17.4266-12.160921.158C16.8141-12.484720.9109
9C16.09-12.353920.4636C15.4698-12.950420.328
10O15.8101-13.358319.8228O15.438-13.525419.2414
11N15.2495-11.269420.6338N14.375-12.68721.0587
12C13.8795-11.258420.1541C13.0045-13.093520.7574
13C12.9477-10.632321.1802C12.4482-13.992321.891
14O12.9276-11.455622.353O12.3359-13.329323.1508
15N12.1784-10.81723.3023N11.3687-12.318323.1252
16C11.2376-11.507824.0378C10.7096-12.24724.3027
17N10.4814-10.84724.9704N10.5711-11.05324.8868
18N11.0481-12.851423.8443N10.1707-13.331124.881
19O16.3861-13.723523.2346F15.9354-14.136823.0323
20N17.2427-16.137523.9915N17.3713-16.155724.0919
21C17.6952-17.375124.6271C18.0286-17.178424.9023
22C18.3963-17.104125.9646C18.7655-16.602126.133
23F17.4787-16.558226.8135F17.9732-15.696626.7145
24C19.6276-16.241825.8177C20.1536-16.023425.8533
25C19.6021-14.89726.1724C20.3946-14.630125.9082
26C20.7244-14.105426.0186C21.6795-14.120925.6469
27C21.889-14.644225.5097C22.7378-14.988925.3139
28C21.9297-15.978425.1573C22.5083-16.377525.2841
29C20.8092-16.772625.3117C21.2247-16.891325.545
30F18.6988-18.313326.515F18.9129-17.604827.0014
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