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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03495162

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LACLACTIC ACIDA2FLT0.73
LACLACTIC ACIDA2IMP0.73
LACLACTIC ACIDA1C0Q0.73
LACLACTIC ACIDE,I,P1P110.73
LACLACTIC ACIDA,B2NLI0.73
LACLACTIC ACIDA,B,C,D2PI10.73
LACLACTIC ACIDA1C0R0.73
LACLACTIC ACIDA1UHD0.73
LACLACTIC ACIDC,D1AXD0.73
LACLACTIC ACIDA1QH90.73
LACLACTIC ACIDA2P1E0.73
LACLACTIC ACIDA1K870.73
LACLACTIC ACIDE,I1P120.73
LACLACTIC ACIDA1W3Q0.73
LACLACTIC ACIDA1C0K0.73
LACLACTIC ACIDA,B2FN70.73
LACLACTIC ACIDA1TJ10.73
LACLACTIC ACIDA1TJ00.73
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1HL20.86
3PY3-HYDROXYPYRUVIC ACIDA,B1O5X0.86
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1NFV0.86
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1FDY0.86
HBSS,3-HYDROXYBUTAN-2-ONEA,B1P280.72
HPV2-oxo-3-(phosphonooxy)propanoic acidA,B3DDN0.71
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.86
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.86
BUQ4-HYDROXY-2-BUTANONEA,B1D7J0.72
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B,C,D2GCG0.81
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B2BO60.81
2KT2-KETOBUTYRIC ACIDA1RR20.77
2KT2-KETOBUTYRIC ACIDA,B,C2UYN0.77
2KT2-KETOBUTYRIC ACIDA,B,C,D1TZK0.77
2KT2-KETOBUTYRIC ACIDX2Q1C0.77
2KT2-KETOBUTYRIC ACIDX2Q1A0.77
AAEACETOACETIC ACIDA,B,C,D3EEW0.75
AAEACETOACETIC ACIDA1FCP0.75
AAEACETOACETIC ACIDA1UJW0.75
AAEACETOACETIC ACIDA,B1QCO0.75
AAEACETOACETIC ACIDA,B,C,D,L1E3W0.75
AAEACETOACETIC ACIDA,B1YSL0.75
AAEACETOACETIC ACIDA2FCP0.75
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.74
HBRR,3-HYDROXYBUTAN-2-ONEA,B1P280.72
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.7
DMR2-HYDROXY-SUCCINIC ACIDA,B2YZO0.83
DMR2-HYDROXY-SUCCINIC ACIDA4CSC0.83
DMR2-HYDROXY-SUCCINIC ACIDH,L1C1E0.83
DMR2-HYDROXY-SUCCINIC ACIDA2CSC0.83
DMR2-HYDROXY-SUCCINIC ACIDA2AR90.83
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.76
3PB(3R)-3-(phosphonooxy)butanoic acidA,B,C,D,E,F3FG80.74
KPLKETOPANTOATEA,B,C,D,E,F,
G,H,I,J		1M3U0.79
3OH3-HYDROXY-PROPANOIC ACIDA1M330.71
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,B,C,D2VK80.73
2OP(2S)-2-HYDROXYPROPANOIC ACID0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1VQ70.73
2OP(2S)-2-HYDROXYPROPANOIC ACID0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1VQ40.73
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,C,E2VOJ0.73
2OP(2S)-2-HYDROXYPROPANOIC ACID0,1,2,3,4,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ50.73
2OP(2S)-2-HYDROXYPROPANOIC ACIDA1W9N0.73
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.7
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.7
HIU(2R)-3-HYDROXY-2-METHYLPROPANOIC ACIDA3BPT0.71