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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03495665

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HA4-HYDROXYBUTAN-1-AMINIUMA1S830.85
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVM0.87
2AO(2S)-2-AMINOHEXAN-1-OLA,I2O400.87
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOD0.87
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVQ0.87
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOC0.87
SEL2-AMINO-1,3-PROPANEDIOLD1D5X0.73
AZK(S)-2-AMINO-6-AZIDOHEXANOIC ACIDA,B2AHP0.78
DCL2-AMINO-4-METHYL-PENTAN-1-OLA1FFF0.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLA,B1EBK0.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLI1DS30.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLC1K2B0.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLC1K2C0.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLA,B,C2AOE0.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLA1FG80.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLA1DW60.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLC,D2R9B0.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLB,C1K1T0.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLA,B1DAZ0.85
DCL2-AMINO-4-METHYL-PENTAN-1-OLC1K1U0.85
AA42-AMINO-5-HYDROXYPENTANOIC ACIDB1MIK0.7
AA42-AMINO-5-HYDROXYPENTANOIC ACIDE,I1QR30.7
LOLLEUCINOLC,D2ZHR0.77
LOLLEUCINOLC,D1FKN0.77
LOLLEUCINOLC,D1M4H0.77
GAU(4S)-4-AMINO-5-HYDROXYPENTANOIC ACIDA,B,C,D2CV10.7
GAU(4S)-4-AMINO-5-HYDROXYPENTANOIC ACIDA,B,C,D2DXI0.7
THOREDUCED THREONINEA1SOC0.77
THOREDUCED THREONINEA2SOC0.77
VOLL-VALINOLA,B1M240.79