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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024518

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BUQ4-HYDROXY-2-BUTANONEA,B1D7J0.73
DTGDES-AMINO T-BUTYL GLYCINEA,B,C,D2WPO0.71
ALQ2-METHYL-PROPIONIC ACIDC,D1FKN0.74
ALQ2-METHYL-PROPIONIC ACIDC,D2ZHR0.74
ALQ2-METHYL-PROPIONIC ACIDA1IUP0.74
ALQ2-METHYL-PROPIONIC ACIDC,D1M4H0.74
ALQ2-METHYL-PROPIONIC ACIDA1R6N0.74
ALQ2-METHYL-PROPIONIC ACIDE,F,G,H1XN20.74
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1HL20.71
3PY3-HYDROXYPYRUVIC ACIDA,B1O5X0.71
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1NFV0.71
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1FDY0.71
DXXMETHYLMALONIC ACIDA1CWZ0.76
DXXMETHYLMALONIC ACIDA,B,C,D,E,F1ON30.76
DXXMETHYLMALONIC ACIDA1CW80.76
KPLKETOPANTOATEA,B,C,D,E,F,
G,H,I,J
1M3U0.71
HIU(2R)-3-HYDROXY-2-METHYLPROPANOIC ACIDA3BPT0.94
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.82
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.82
PIVPIVALIC ACIDB,D,F,H1SMR0.8
3OH3-HYDROXY-PROPANOIC ACIDA1M330.83
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.72