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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02203031

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.74
NIYMETA-NITRO-TYROSINEA2ADP0.74
NIYMETA-NITRO-TYROSINEA3DIV0.74
NIYMETA-NITRO-TYROSINEA2H5U0.74
NIYMETA-NITRO-TYROSINEA1K4Q0.74
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.74
DNC3,5-DINITROCATECHOLA3BWY0.9
DNC3,5-DINITROCATECHOLA3BWM0.9
DNC3,5-DINITROCATECHOLA1VID0.9
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.85
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.85
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.76
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.78
DNF2,4-DINITROPHENOLA,B2B160.9
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.9
DNF2,4-DINITROPHENOLA1GVO0.9
DNF2,4-DINITROPHENOLA,B2B150.9
DNF2,4-DINITROPHENOLA,B2B140.9
TNFPICRIC ACIDA1GVS0.88
TNFPICRIC ACIDX1VYP0.88
TNFPICRIC ACIDA1VYR0.88
TNFPICRIC ACIDX1VYS0.88
2AF2-AMINOPHENOLA1L4N0.81
EDREDROPHONIUM IONA1AX90.74
EDREDROPHONIUM IONA2ACK0.74
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
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
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.79
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.79
4NP4-NITROPHENYL PHOSPHATEA2I6P0.79
4NS4-nitrophenyl sulfateX2ZYU0.81
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG1
4NC4-NITROCATECHOLA1NO30.88
4NC4-NITROCATECHOLB2BUU0.88
4NC4-NITROCATECHOLB2BUZ0.88
4NC4-NITROCATECHOLB1EOC0.88
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.77
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.74
2AC2-AMINO-P-CRESOLA1L4M0.74
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.78
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.78
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
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
NCR2-NITRO-P-CRESOLA,B1AHV0.85
4NL4-AMINOPHENOLA2ORL0.76