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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03077447

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NC4-NITROCATECHOLA1NO30.77
4NC4-NITROCATECHOLB2BUU0.77
4NC4-NITROCATECHOLB2BUZ0.77
4NC4-NITROCATECHOLB1EOC0.77
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.71
TNFPICRIC ACIDA1GVS0.76
TNFPICRIC ACIDX1VYP0.76
TNFPICRIC ACIDA1VYR0.76
TNFPICRIC ACIDX1VYS0.76
EDREDROPHONIUM IONA1AX90.7
EDREDROPHONIUM IONA2ACK0.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.78
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.78
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.82
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.82
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.82
4NS4-nitrophenyl sulfateX2ZYU0.74
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.7
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.86
NPOP-NITROPHENOLA,B1Z440.76
NPOP-NITROPHENOLX2ZYW0.76
NPOP-NITROPHENOLH,L1YEK0.76
NPOP-NITROPHENOLA,C,E,G43CA0.76
NPOP-NITROPHENOLA1LS60.76
NPOP-NITROPHENOLX2ZVP0.76
NPOP-NITROPHENOLA,B2I100.76
NPOP-NITROPHENOLA1VAH0.76
NPOP-NITROPHENOLA,B3ETT0.76
NPOP-NITROPHENOLA,B2D200.76
NPOP-NITROPHENOLX2ZYV0.76
DNC3,5-DINITROCATECHOLA3BWY0.78
DNC3,5-DINITROCATECHOLA3BWM0.78
DNC3,5-DINITROCATECHOLA1VID0.78
NCR2-NITRO-P-CRESOLA,B1AHV0.75
2AF2-AMINOPHENOLA1L4N0.75
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
4NL4-AMINOPHENOLA2ORL0.71
DNF2,4-DINITROPHENOLA,B2B160.78
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.78
DNF2,4-DINITROPHENOLA1GVO0.78
DNF2,4-DINITROPHENOLA,B2B150.78
DNF2,4-DINITROPHENOLA,B2B140.78