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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02901665

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HE4HEPTAN-1-OLA1ZNG0.74
PE9PENTAN-1-OLA1ZND0.75
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.77
IP31-HYDROXY-3-METHYLBUTANEA,B1HRN0.79
IP31-HYDROXY-3-METHYLBUTANEA,B1BIL0.79
HEZHEXANE-1,6-DIOLA,B1X1V0.7
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.7
HEZHEXANE-1,6-DIOLA1J7K0.7
HEZHEXANE-1,6-DIOLA2IOR0.7
HEZHEXANE-1,6-DIOLA,D2NY20.7
HEZHEXANE-1,6-DIOLA2NY00.7
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.7
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.7
HEZHEXANE-1,6-DIOLA,D2NY40.7
HEZHEXANE-1,6-DIOLA1P2V0.7
HEZHEXANE-1,6-DIOLA1NHZ0.7
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.7
HEZHEXANE-1,6-DIOLA2NXY0.7
HEZHEXANE-1,6-DIOLA,B2VYP0.7
HEZHEXANE-1,6-DIOLA,B1JMT0.7
HEZHEXANE-1,6-DIOLA1U3C0.7
HEZHEXANE-1,6-DIOLA,B,C,D3G360.7
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.7
HEZHEXANE-1,6-DIOLA1QUH0.7
HEZHEXANE-1,6-DIOLA1IN40.7
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.7
HEZHEXANE-1,6-DIOLA,B3EV10.7
HEZHEXANE-1,6-DIOLA,B,D2WIW0.7
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.7
HEZHEXANE-1,6-DIOLA1QUD0.7
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.82
ARC3,7,11,15-TETRAMETHYL-HEXADECAN-
1-OL
A,B,C1BRR0.78
HE2HEXAN-1-OLA1ZNE0.76
PSX[(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHEXYL]PHOSPHONIC ACIDA,B2H7X0.7
YES3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-
1,5-diol
A,B3GOC0.72