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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01221728

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPM3-ISOPROPYLMALIC ACIDA,B1A050.71
IPM3-ISOPROPYLMALIC ACIDA1HJ60.71
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.72
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.72
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.74
CS2D-MANNONIC ACIDA,B,C,D2QJM0.73
CS2D-MANNONIC ACIDA,B3DBN0.73
ICTISOCITRIC ACIDA1IDE0.71
ICTISOCITRIC ACIDA,B2UXR0.71
ICTISOCITRIC ACIDA,B1XKD0.71
ICTISOCITRIC ACIDA8ICD0.71
ICTISOCITRIC ACIDA,B,D1XG40.71
ICTISOCITRIC ACIDA1CW70.71
ICTISOCITRIC ACIDA1GRO0.71
ICTISOCITRIC ACIDA1W8G0.71
ICTISOCITRIC ACIDA5ICD0.71
ICTISOCITRIC ACIDA,B1LWD0.71
ICTISOCITRIC ACIDA,B,C,D1ITW0.71
ICTISOCITRIC ACIDA,B,C,D1T0L0.71
ICTISOCITRIC ACIDA1PB10.71
ICTISOCITRIC ACIDA1GRP0.71
ICTISOCITRIC ACIDA1CW10.71
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.71
ICTISOCITRIC ACIDA1B0J0.71
ICTISOCITRIC ACIDA1W7F0.71
ICTISOCITRIC ACIDA7ACN0.71
ICTISOCITRIC ACIDA1C970.71
ICTISOCITRIC ACIDA1P8F0.71
ICTISOCITRIC ACIDA2CSG0.71
ICAISOCITRATE CALCIUM COMPLEXA1AI20.71
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B,C,D2GCG0.81
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B2BO60.81
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.78
GCOGLUCONIC ACIDB,C,D1BGG0.73
GCOGLUCONIC ACIDA,B1XLF0.73
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
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.73
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.7
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.7
GKRD-GLUCARATEA3CXT0.71
GKRD-GLUCARATEA,B1JCT0.71
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,B,C,D2VK80.78
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
1VQ70.78
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
1VQ40.78
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,C,E2VOJ0.78
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
1VQ50.78
2OP(2S)-2-HYDROXYPROPANOIC ACIDA1W9N0.78
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.78
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.78
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.72
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.78
DMR2-HYDROXY-SUCCINIC ACIDA,B2YZO0.92
DMR2-HYDROXY-SUCCINIC ACIDA4CSC0.92
DMR2-HYDROXY-SUCCINIC ACIDH,L1C1E0.92
DMR2-HYDROXY-SUCCINIC ACIDA2CSC0.92
DMR2-HYDROXY-SUCCINIC ACIDA2AR90.92
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.7
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.7
ITMISOCITRIC ACID-MAGNESIUM COMPLEXA1AI30.71