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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009680

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.8
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.8
4NP4-NITROPHENYL PHOSPHATEA2I6P0.8
TNFPICRIC ACIDA1GVS0.79
TNFPICRIC ACIDX1VYP0.79
TNFPICRIC ACIDA1VYR0.79
TNFPICRIC ACIDX1VYS0.79
2CH2-CHLOROPHENOLA1WBO0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.76
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.78
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.78
DNF2,4-DINITROPHENOLA,B2B160.81
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.81
DNF2,4-DINITROPHENOLA1GVO0.81
DNF2,4-DINITROPHENOLA,B2B150.81
DNF2,4-DINITROPHENOLA,B2B140.81
4NL4-AMINOPHENOLA2ORL0.78
4NS4-nitrophenyl sulfateX2ZYU0.81
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.75
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.8
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.77
DNC3,5-DINITROCATECHOLA3BWY0.74
DNC3,5-DINITROCATECHOLA3BWM0.74
DNC3,5-DINITROCATECHOLA1VID0.74
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.74
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.78
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.78
4NC4-NITROCATECHOLA1NO30.8
4NC4-NITROCATECHOLB2BUU0.8
4NC4-NITROCATECHOLB2BUZ0.8
4NC4-NITROCATECHOLB1EOC0.8
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
2AF2-AMINOPHENOLA1L4N0.74
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
TN52-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOLA,B1ZW10.73
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.71