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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00046757

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HA4-HYDROXYBUTAN-1-AMINIUMA1S830.73
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVM0.76
2AO(2S)-2-AMINOHEXAN-1-OLA,I2O400.76
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOD0.76
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVQ0.76
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOC0.76
VOLL-VALINOLA,B1M240.92
TBGT-BUTYL GLYCINEE,F,G,H1NJU0.7
TBGT-BUTYL GLYCINEA,B,C,D2PBK0.7
TBGT-BUTYL GLYCINEC1A8G0.7
TBGT-BUTYL GLYCINEA,B,C,D2WPO0.7
TBGT-BUTYL GLYCINEY,Z1JQ70.7
TBGT-BUTYL GLYCINEC1NKM0.7
TBGT-BUTYL GLYCINEA,B,C,D,I,J,
K,L
2AJB0.7
THOREDUCED THREONINEA1SOC0.79
THOREDUCED THREONINEA2SOC0.79
SEL2-AMINO-1,3-PROPANEDIOLD1D5X0.76
DCL2-AMINO-4-METHYL-PENTAN-1-OLA1FFF0.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLA,B1EBK0.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLI1DS30.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLC1K2B0.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLC1K2C0.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLA,B,C2AOE0.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLA1FG80.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLA1DW60.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLC,D2R9B0.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLB,C1K1T0.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLA,B1DAZ0.83
DCL2-AMINO-4-METHYL-PENTAN-1-OLC1K1U0.83
LOLLEUCINOLC,D2ZHR0.75
LOLLEUCINOLC,D1FKN0.75
LOLLEUCINOLC,D1M4H0.75
FOP2-HYDROXY-PROPYL-AMMONIUMA1ID80.7