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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00529279

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EDREDROPHONIUM IONA1AX90.75
EDREDROPHONIUM IONA2ACK0.75
DNC3,5-DINITROCATECHOLA3BWY0.9
DNC3,5-DINITROCATECHOLA3BWM0.9
DNC3,5-DINITROCATECHOLA1VID0.9
NCR2-NITRO-P-CRESOLA,B1AHV0.79
4NS4-nitrophenyl sulfateX2ZYU0.82
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.79
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.76
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.72
2AF2-AMINOPHENOLA1L4N0.76
TNFPICRIC ACIDA1GVS0.88
TNFPICRIC ACIDX1VYP0.88
TNFPICRIC ACIDA1VYR0.88
TNFPICRIC ACIDX1VYS0.88
NINDINITROPHENYLENEA1RSM0.72
NINDINITROPHENYLENEA1GVY0.72
NINDINITROPHENYLENEA1GW10.72
4NC4-NITROCATECHOLA1NO30.89
4NC4-NITROCATECHOLB2BUU0.89
4NC4-NITROCATECHOLB2BUZ0.89
4NC4-NITROCATECHOLB1EOC0.89
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.86
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.86
4NL4-AMINOPHENOLA2ORL0.77
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.81
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.81
4NP4-NITROPHENYL PHOSPHATEA2I6P0.81
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.71
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.71
DNF2,4-DINITROPHENOLA,B2B160.88
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.88
DNF2,4-DINITROPHENOLA1GVO0.88
DNF2,4-DINITROPHENOLA,B2B150.88
DNF2,4-DINITROPHENOLA,B2B140.88
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.75
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.7
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.91
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.78
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.75
NPOP-NITROPHENOLA,B1Z440.88
NPOP-NITROPHENOLX2ZYW0.88
NPOP-NITROPHENOLH,L1YEK0.88
NPOP-NITROPHENOLA,C,E,G43CA0.88
NPOP-NITROPHENOLA1LS60.88
NPOP-NITROPHENOLX2ZVP0.88
NPOP-NITROPHENOLA,B2I100.88
NPOP-NITROPHENOLA1VAH0.88
NPOP-NITROPHENOLA,B3ETT0.88
NPOP-NITROPHENOLA,B2D200.88
NPOP-NITROPHENOLX2ZYV0.88
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.75