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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02158060

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DNF2,4-DINITROPHENOLA,B2B160.94
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.94
DNF2,4-DINITROPHENOLA1GVO0.94
DNF2,4-DINITROPHENOLA,B2B150.94
DNF2,4-DINITROPHENOLA,B2B140.94
TNFPICRIC ACIDA1GVS0.91
TNFPICRIC ACIDX1VYP0.91
TNFPICRIC ACIDA1VYR0.91
TNFPICRIC ACIDX1VYS0.91
4NS4-nitrophenyl sulfateX2ZYU0.87
NPOP-NITROPHENOLA,B1Z440.86
NPOP-NITROPHENOLX2ZYW0.86
NPOP-NITROPHENOLH,L1YEK0.86
NPOP-NITROPHENOLA,C,E,G43CA0.86
NPOP-NITROPHENOLA1LS60.86
NPOP-NITROPHENOLX2ZVP0.86
NPOP-NITROPHENOLA,B2I100.86
NPOP-NITROPHENOLA1VAH0.86
NPOP-NITROPHENOLA,B3ETT0.86
NPOP-NITROPHENOLA,B2D200.86
NPOP-NITROPHENOLX2ZYV0.86
DNC3,5-DINITROCATECHOLA3BWY0.85
DNC3,5-DINITROCATECHOLA3BWM0.85
DNC3,5-DINITROCATECHOLA1VID0.85
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.85
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.85
4NP4-NITROPHENYL PHOSPHATEA2I6P0.85
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.84
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.83
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.83
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.82
NCR2-NITRO-P-CRESOLA,B1AHV0.8
4NC4-NITROCATECHOLA1NO30.8
4NC4-NITROCATECHOLB2BUU0.8
4NC4-NITROCATECHOLB2BUZ0.8
4NC4-NITROCATECHOLB1EOC0.8
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.79
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.79
4NL4-AMINOPHENOLA2ORL0.77
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.77
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.77
2AF2-AMINOPHENOLA1L4N0.77
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.76
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.76
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.76
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.73
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.71
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.71
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.71
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.7
2AC2-AMINO-P-CRESOLH,I1A2C0.7
2AC2-AMINO-P-CRESOLA1L4M0.7