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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023484

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1E560.74
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1H490.74
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1E4N0.74
4NC4-NITROCATECHOLA1NO30.7
4NC4-NITROCATECHOLB2BUU0.7
4NC4-NITROCATECHOLB2BUZ0.7
4NC4-NITROCATECHOLB1EOC0.7
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.9
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.71
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.92
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.9
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.9
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.95
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.95
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.87
LAM4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-
(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-
(1-3)-BETA-D-GLUCOPYRANOSIDE
A1J8V0.89
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.72
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.97
NPOP-NITROPHENOLA,B1Z440.72
NPOP-NITROPHENOLX2ZYW0.72
NPOP-NITROPHENOLH,L1YEK0.72
NPOP-NITROPHENOLA,C,E,G43CA0.72
NPOP-NITROPHENOLA1LS60.72
NPOP-NITROPHENOLX2ZVP0.72
NPOP-NITROPHENOLA,B2I100.72
NPOP-NITROPHENOLA1VAH0.72
NPOP-NITROPHENOLA,B3ETT0.72
NPOP-NITROPHENOLA,B2D200.72
NPOP-NITROPHENOLX2ZYV0.72
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM1
FNG5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-
D-GALACTOPYRANOSE
D,E,F,G,H1LLR0.77
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.93
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.93
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.93
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.92
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.92
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.92
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
A,B,C,D,E,F2F2H0.91
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.95
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX1
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL1
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV1
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW1
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.95
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.95
4NS4-nitrophenyl sulfateX2ZYU0.7
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.9
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.9