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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03385166

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.88
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
4NL4-AMINOPHENOLA2ORL0.73
NPOP-NITROPHENOLA,B1Z440.84
NPOP-NITROPHENOLX2ZYW0.84
NPOP-NITROPHENOLH,L1YEK0.84
NPOP-NITROPHENOLA,C,E,G43CA0.84
NPOP-NITROPHENOLA1LS60.84
NPOP-NITROPHENOLX2ZVP0.84
NPOP-NITROPHENOLA,B2I100.84
NPOP-NITROPHENOLA1VAH0.84
NPOP-NITROPHENOLA,B3ETT0.84
NPOP-NITROPHENOLA,B2D200.84
NPOP-NITROPHENOLX2ZYV0.84
TNFPICRIC ACIDA1GVS0.76
TNFPICRIC ACIDX1VYP0.76
TNFPICRIC ACIDA1VYR0.76
TNFPICRIC ACIDX1VYS0.76
4NC4-NITROCATECHOLA1NO30.85
4NC4-NITROCATECHOLB2BUU0.85
4NC4-NITROCATECHOLB2BUZ0.85
4NC4-NITROCATECHOLB1EOC0.85
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.71
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.83
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.83
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.83
2AF2-AMINOPHENOLA1L4N0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.91
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.91
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.82
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.82
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.93
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.93
4NP4-NITROPHENYL PHOSPHATEA2I6P0.93
4NS4-nitrophenyl sulfateX2ZYU0.85
EDREDROPHONIUM IONA1AX90.71
EDREDROPHONIUM IONA2ACK0.71
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.7
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.7
DNC3,5-DINITROCATECHOLA3BWY0.78
DNC3,5-DINITROCATECHOLA3BWM0.78
DNC3,5-DINITROCATECHOLA1VID0.78
NCR2-NITRO-P-CRESOLA,B1AHV0.75
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.71
DNF2,4-DINITROPHENOLA,B2B160.78
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.78
DNF2,4-DINITROPHENOLA1GVO0.78
DNF2,4-DINITROPHENOLA,B2B150.78
DNF2,4-DINITROPHENOLA,B2B140.78
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.85
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71