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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00025157

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.81
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.73
4NL4-AMINOPHENOLA2ORL0.74
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
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.73
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.73
NPOP-NITROPHENOLA,B1Z440.84
NPOP-NITROPHENOLX2ZYW0.84
NPOP-NITROPHENOLH,L1YEK0.84
NPOP-NITROPHENOLA,C,E,G43CA0.84
NPOP-NITROPHENOLA1LS60.84
NPOP-NITROPHENOLX2ZVP0.84
NPOP-NITROPHENOLA,B2I100.84
NPOP-NITROPHENOLA1VAH0.84
NPOP-NITROPHENOLA,B3ETT0.84
NPOP-NITROPHENOLA,B2D200.84
NPOP-NITROPHENOLX2ZYV0.84
DNC3,5-DINITROCATECHOLA3BWY0.87
DNC3,5-DINITROCATECHOLA3BWM0.87
DNC3,5-DINITROCATECHOLA1VID0.87
4NS4-nitrophenyl sulfateX2ZYU0.79
4NC4-NITROCATECHOLA1NO30.93
4NC4-NITROCATECHOLB2BUU0.93
4NC4-NITROCATECHOLB2BUZ0.93
4NC4-NITROCATECHOLB1EOC0.93
EDREDROPHONIUM IONA1AX90.72
EDREDROPHONIUM IONA2ACK0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.77
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.77
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.9
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.9
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.75
2AF2-AMINOPHENOLA1L4N0.7
TNFPICRIC ACIDA1GVS0.78
TNFPICRIC ACIDX1VYP0.78
TNFPICRIC ACIDA1VYR0.78
TNFPICRIC ACIDX1VYS0.78
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.72
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.77
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.77
4NP4-NITROPHENYL PHOSPHATEA2I6P0.77
NCR2-NITRO-P-CRESOLA,B1AHV0.73
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.85