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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021910

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIYMETA-NITRO-TYROSINEA2ADP0.74
NIYMETA-NITRO-TYROSINEA3DIV0.74
NIYMETA-NITRO-TYROSINEA2H5U0.74
NIYMETA-NITRO-TYROSINEA1K4Q0.74
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.74
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
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.75
4NL4-AMINOPHENOLA2ORL0.77
2AF2-AMINOPHENOLA1L4N0.83
DNC3,5-DINITROCATECHOLA3BWY0.88
DNC3,5-DINITROCATECHOLA3BWM0.88
DNC3,5-DINITROCATECHOLA1VID0.88
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.81
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.81
4NP4-NITROPHENYL PHOSPHATEA2I6P0.81
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.7
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.83
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.7
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.91
4NC4-NITROCATECHOLA1NO30.81
4NC4-NITROCATECHOLB2BUU0.81
4NC4-NITROCATECHOLB2BUZ0.81
4NC4-NITROCATECHOLB1EOC0.81
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.76
2AC2-AMINO-P-CRESOLH,I1A2C0.75
2AC2-AMINO-P-CRESOLA1L4M0.75
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.78
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.75
NCR2-NITRO-P-CRESOLA,B1AHV0.86
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
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.7
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.7
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.7
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.75
TNFPICRIC ACIDA1GVS0.96
TNFPICRIC ACIDX1VYP0.96
TNFPICRIC ACIDA1VYR0.96
TNFPICRIC ACIDX1VYS0.96
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.79
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.79
DNF2,4-DINITROPHENOLA,B2B160.97
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.97
DNF2,4-DINITROPHENOLA1GVO0.97
DNF2,4-DINITROPHENOLA,B2B150.97
DNF2,4-DINITROPHENOLA,B2B140.97
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.77