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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02990927

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.9
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.73
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.87
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.87
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.8
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.8
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.89
NPOP-NITROPHENOLA,B1Z440.74
NPOP-NITROPHENOLX2ZYW0.74
NPOP-NITROPHENOLH,L1YEK0.74
NPOP-NITROPHENOLA,C,E,G43CA0.74
NPOP-NITROPHENOLA1LS60.74
NPOP-NITROPHENOLX2ZVP0.74
NPOP-NITROPHENOLA,B2I100.74
NPOP-NITROPHENOLA1VAH0.74
NPOP-NITROPHENOLA,B3ETT0.74
NPOP-NITROPHENOLA,B2D200.74
NPOP-NITROPHENOLX2ZYV0.74
4NC4-NITROCATECHOLA1NO30.72
4NC4-NITROCATECHOLB2BUU0.72
4NC4-NITROCATECHOLB2BUZ0.72
4NC4-NITROCATECHOLB1EOC0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.75
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.75
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.75
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.71
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.71
4NP4-NITROPHENYL PHOSPHATEA2I6P0.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.7
LAM4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-
(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-
(1-3)-BETA-D-GLUCOPYRANOSIDE
A1J8V0.75
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.72
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.86
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.86
DNF2,4-DINITROPHENOLA,B2B160.81
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.81
DNF2,4-DINITROPHENOLA1GVO0.81
DNF2,4-DINITROPHENOLA,B2B150.81
DNF2,4-DINITROPHENOLA,B2B140.81
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.84
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.84
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.84
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.84
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.89
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.89
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.89
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.82
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
A,B,C,D,E,F2F2H0.77
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.72
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.81
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.81
NCR2-NITRO-P-CRESOLA,B1AHV0.7
4NS4-nitrophenyl sulfateX2ZYU0.73
TNFPICRIC ACIDA1GVS0.78
TNFPICRIC ACIDX1VYP0.78
TNFPICRIC ACIDA1VYR0.78
TNFPICRIC ACIDX1VYS0.78
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.86
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.86
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.86
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.86
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.84
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.74
DNC3,5-DINITROCATECHOLA3BWY0.77
DNC3,5-DINITROCATECHOLA3BWM0.77
DNC3,5-DINITROCATECHOLA1VID0.77
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.77