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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03852955

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2112,2',2''-NITRILOTRIETHANOLX3H7C0.79
2112,2',2''-NITRILOTRIETHANOLA,B2HMP0.79
CH52-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-
N,N,N-TRIMETHYLETHANAMINIUM
A,B,C2AG20.71
CHTCHOLINE IONA,B2REG0.76
CHTCHOLINE IONA,B1HCX0.76
CHTCHOLINE IONA2FY30.76
CHTCHOLINE IONA,B1H8G0.76
CHTCHOLINE IONC2VYU0.76
CHTCHOLINE IONA,B,C,D,E,F1GVM0.76
CHTCHOLINE IONA1P0M0.76
CHTCHOLINE IONA2V040.76
CHTCHOLINE IONA1OBA0.76
CHTCHOLINE IONA,B2HA30.76
CHTCHOLINE IONA,B,C,D3C5I0.76
CHTCHOLINE IONA2V050.76
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
B2EI50.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2OB30.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2W1Q0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B1XA40.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2I3H0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2RI10.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B1XA30.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2I3G0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2C590.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2C5A0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2IC50.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2ONG0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,C,D3EHU0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2F070.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B3GG40.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B1AG90.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
B3BD30.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,C,D,F,G2HVR0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A2NUI0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,C,D,F,G2HVS0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2RI00.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B3BD40.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,C,D1JZ20.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B1TW60.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,C,D2YVD0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,C,D1JZ30.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,C2E3V0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,C,D1R640.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B3BD50.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B3F7I0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2OQL0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,C,D1RJ40.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B3F7H0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B3CAK0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A2VN40.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A2VN70.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2I3I0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,E3DHH0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B1VCL0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,C3DHI0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,C,D2I3A0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B1N1Z0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2V3F0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A2BIB0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B,C,D,E3F6W0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2ONH0.75
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-
2-HYDROXYMETHYL-PROPANE-1,3-DIOL
A,B2W1S0.75
DO310-((2R)-2-HYDROXYPROPYL)-1,4,7,10-
TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID
A1H870.71
DO310-((2R)-2-HYDROXYPROPYL)-1,4,7,10-
TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID
A,B,C,D,E,F,
G,H
2QMI0.71
CCD(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-
1-AMINIUM
A,B2VJD0.75
CCD(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-
1-AMINIUM
A,B2VJC0.75
CCD(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-
1-AMINIUM
A,B2VJB0.75
CCD(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-
1-AMINIUM
A,B2VJA0.75