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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02331102

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DNF2,4-DINITROPHENOLA,B2B160.82
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.82
DNF2,4-DINITROPHENOLA1GVO0.82
DNF2,4-DINITROPHENOLA,B2B150.82
DNF2,4-DINITROPHENOLA,B2B140.82
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.76
4NS4-nitrophenyl sulfateX2ZYU0.82
TNFPICRIC ACIDA1GVS0.81
TNFPICRIC ACIDX1VYP0.81
TNFPICRIC ACIDA1VYR0.81
TNFPICRIC ACIDX1VYS0.81
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.72
DNC3,5-DINITROCATECHOLA3BWY0.83
DNC3,5-DINITROCATECHOLA3BWM0.83
DNC3,5-DINITROCATECHOLA1VID0.83
4NC4-NITROCATECHOLA1NO30.89
4NC4-NITROCATECHOLB2BUU0.89
4NC4-NITROCATECHOLB2BUZ0.89
4NC4-NITROCATECHOLB1EOC0.89
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.86
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.86
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.81
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.81
4NP4-NITROPHENYL PHOSPHATEA2I6P0.81
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.71
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.71
NCR2-NITRO-P-CRESOLA,B1AHV0.8
NPOP-NITROPHENOLA,B1Z440.9
NPOP-NITROPHENOLX2ZYW0.9
NPOP-NITROPHENOLH,L1YEK0.9
NPOP-NITROPHENOLA,C,E,G43CA0.9
NPOP-NITROPHENOLA1LS60.9
NPOP-NITROPHENOLX2ZVP0.9
NPOP-NITROPHENOLA,B2I100.9
NPOP-NITROPHENOLA1VAH0.9
NPOP-NITROPHENOLA,B3ETT0.9
NPOP-NITROPHENOLA,B2D200.9
NPOP-NITROPHENOLX2ZYV0.9
2AF2-AMINOPHENOLA1L4N0.77
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.75
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
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
EDREDROPHONIUM IONA1AX90.76
EDREDROPHONIUM IONA2ACK0.76
2AC2-AMINO-P-CRESOLH,I1A2C0.7
2AC2-AMINO-P-CRESOLA1L4M0.7
4NL4-AMINOPHENOLA2ORL0.79
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.89