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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03034361

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NL4-AMINOPHENOLA2ORL0.74
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.89
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.89
4NC4-NITROCATECHOLA1NO30.86
4NC4-NITROCATECHOLB2BUU0.86
4NC4-NITROCATECHOLB2BUZ0.86
4NC4-NITROCATECHOLB1EOC0.86
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.73
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
NCR2-NITRO-P-CRESOLA,B1AHV0.81
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.76
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.76
TNFPICRIC ACIDA1GVS0.82
TNFPICRIC ACIDX1VYP0.82
TNFPICRIC ACIDA1VYR0.82
TNFPICRIC ACIDX1VYS0.82
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.75
EDREDROPHONIUM IONA1AX90.72
EDREDROPHONIUM IONA2ACK0.72
DNC3,5-DINITROCATECHOLA3BWY0.85
DNC3,5-DINITROCATECHOLA3BWM0.85
DNC3,5-DINITROCATECHOLA1VID0.85
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.73
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.72
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
DNF2,4-DINITROPHENOLA,B2B160.85
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.85
DNF2,4-DINITROPHENOLA1GVO0.85
DNF2,4-DINITROPHENOLA,B2B150.85
DNF2,4-DINITROPHENOLA,B2B140.85
2AF2-AMINOPHENOLA1L4N0.78
4NS4-nitrophenyl sulfateX2ZYU0.85
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.92
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.78
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.78
4NP4-NITROPHENYL PHOSPHATEA2I6P0.78
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.73
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.71