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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00046650

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
DNF2,4-DINITROPHENOLA,B2B160.8
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.8
DNF2,4-DINITROPHENOLA1GVO0.8
DNF2,4-DINITROPHENOLA,B2B150.8
DNF2,4-DINITROPHENOLA,B2B140.8
TNFPICRIC ACIDA1GVS0.82
TNFPICRIC ACIDX1VYP0.82
TNFPICRIC ACIDA1VYR0.82
TNFPICRIC ACIDX1VYS0.82
4NC4-NITROCATECHOLA1NO30.73
4NC4-NITROCATECHOLB2BUU0.73
4NC4-NITROCATECHOLB2BUZ0.73
4NC4-NITROCATECHOLB1EOC0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.7
4NL4-AMINOPHENOLA2ORL0.7
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.8
DNC3,5-DINITROCATECHOLA3BWY0.75
DNC3,5-DINITROCATECHOLA3BWM0.75
DNC3,5-DINITROCATECHOLA1VID0.75
NCR2-NITRO-P-CRESOLA,B1AHV0.78
4NS4-nitrophenyl sulfateX2ZYU0.73
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.7
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.7
2AF2-AMINOPHENOLA1L4N0.75
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.72
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.72
4NP4-NITROPHENYL PHOSPHATEA2I6P0.72
NPOP-NITROPHENOLA,B1Z440.79
NPOP-NITROPHENOLX2ZYW0.79
NPOP-NITROPHENOLH,L1YEK0.79
NPOP-NITROPHENOLA,C,E,G43CA0.79
NPOP-NITROPHENOLA1LS60.79
NPOP-NITROPHENOLX2ZVP0.79
NPOP-NITROPHENOLA,B2I100.79
NPOP-NITROPHENOLA1VAH0.79
NPOP-NITROPHENOLA,B3ETT0.79
NPOP-NITROPHENOLA,B2D200.79
NPOP-NITROPHENOLX2ZYV0.79