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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02326704

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3GRGLYCERALDEHYDEA,B,C,D1W3T0.71
3GRGLYCERALDEHYDEA,B,C,D,E,F,
G,H,I,J,K,L,M
1T5E0.71
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1HL20.78
3PY3-HYDROXYPYRUVIC ACIDA,B1O5X0.78
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1NFV0.78
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1FDY0.78
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.82
3PG3-PHOSPHOGLYCERIC ACIDA2P9T0.76
3PG3-PHOSPHOGLYCERIC ACIDB,E,H,L1AA10.76
3PG3-PHOSPHOGLYCERIC ACIDA,B,C,D3FJG0.76
3PG3-PHOSPHOGLYCERIC ACIDB1IIH0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B3FDZ0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B2VFE0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B3GP50.76
3PG3-PHOSPHOGLYCERIC ACIDA,B2PAA0.76
3PG3-PHOSPHOGLYCERIC ACIDA1VPE0.76
3PG3-PHOSPHOGLYCERIC ACIDA1QPG0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B1RUS0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B3C3A0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B2A9J0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B2H4X0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B2HHJ0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B2H520.76
3PG3-PHOSPHOGLYCERIC ACIDA,B2VFH0.76
3PG3-PHOSPHOGLYCERIC ACIDA3E250.76
3PG3-PHOSPHOGLYCERIC ACIDA1HDI0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B2CUN0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B3PGM0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B,C,D13PK0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B,C,D2VFG0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B2VFI0.76
3PG3-PHOSPHOGLYCERIC ACIDA1EJJ0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B1M7O0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B2F900.76
3PG3-PHOSPHOGLYCERIC ACIDA,B1QHF0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B3C3C0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B,C,E,F,G2ABM0.76
3PG3-PHOSPHOGLYCERIC ACIDA3PGK0.76
3PG3-PHOSPHOGLYCERIC ACIDA,B3C390.76
3PG3-PHOSPHOGLYCERIC ACIDA1KF00.76
3PG3-PHOSPHOGLYCERIC ACIDA2JDD0.76
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.72
2PG2-PHOSPHOGLYCERIC ACIDA,B2AL10.76
2PG2-PHOSPHOGLYCERIC ACIDA,B1ZJI0.76
2PG2-PHOSPHOGLYCERIC ACIDA5ENL0.76
2PG2-PHOSPHOGLYCERIC ACIDA,B1ONE0.76
2PG2-PHOSPHOGLYCERIC ACIDA,B2R450.76
2PG2-PHOSPHOGLYCERIC ACIDA1O980.76
2PG2-PHOSPHOGLYCERIC ACIDA7ENL0.76
2PG2-PHOSPHOGLYCERIC ACIDA1EQJ0.76
2PG2-PHOSPHOGLYCERIC ACIDA,B2AL20.76
2PG2-PHOSPHOGLYCERIC ACIDA,B1O5X0.76
2PG2-PHOSPHOGLYCERIC ACIDA,B1PE10.76
2PG2-PHOSPHOGLYCERIC ACIDA,B1P430.76
2PG2-PHOSPHOGLYCERIC ACIDA1O990.76
2PG2-PHOSPHOGLYCERIC ACIDB4TIM0.76
2PG2-PHOSPHOGLYCERIC ACIDA,B2ONE0.76
3PB(3R)-3-(phosphonooxy)butanoic acidA,B,C,D,E,F3FG80.72
GKRD-GLUCARATEA3CXT0.7
GKRD-GLUCARATEA,B1JCT0.7
DMR2-HYDROXY-SUCCINIC ACIDA,B2YZO0.9
DMR2-HYDROXY-SUCCINIC ACIDA4CSC0.9
DMR2-HYDROXY-SUCCINIC ACIDH,L1C1E0.9
DMR2-HYDROXY-SUCCINIC ACIDA2CSC0.9
DMR2-HYDROXY-SUCCINIC ACIDA2AR90.9
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEB,C,D,E,F,G,H3GK00.7
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,E,F,G1M5W0.7
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,D1IXN0.7
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B1Q0Q0.7
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.76
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.76
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.84
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.84
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,B,C,D2VK80.81
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
1VQ70.81
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
1VQ40.81
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,C,E2VOJ0.81
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
1VQ50.81
2OP(2S)-2-HYDROXYPROPANOIC ACIDA1W9N0.81
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.71
2KT2-KETOBUTYRIC ACIDA1RR20.7
2KT2-KETOBUTYRIC ACIDA,B,C2UYN0.7
2KT2-KETOBUTYRIC ACIDA,B,C,D1TZK0.7
2KT2-KETOBUTYRIC ACIDX2Q1C0.7
2KT2-KETOBUTYRIC ACIDX2Q1A0.7
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B,C,D2GCG0.89
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B2BO60.89
GCOGLUCONIC ACIDB,C,D1BGG0.71
GCOGLUCONIC ACIDA,B1XLF0.71
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.73
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.73
CS2D-MANNONIC ACIDA,B,C,D2QJM0.71
CS2D-MANNONIC ACIDA,B3DBN0.71
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.76