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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727933

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.85
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.85
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.78
2AF2-AMINOPHENOLA1L4N0.81
EDREDROPHONIUM IONA1AX90.74
EDREDROPHONIUM IONA2ACK0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.72
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
DNC3,5-DINITROCATECHOLA3BWY0.88
DNC3,5-DINITROCATECHOLA3BWM0.88
DNC3,5-DINITROCATECHOLA1VID0.88
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.71
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.71
NPOP-NITROPHENOLA,B1Z440.86
NPOP-NITROPHENOLX2ZYW0.86
NPOP-NITROPHENOLH,L1YEK0.86
NPOP-NITROPHENOLA,C,E,G43CA0.86
NPOP-NITROPHENOLA1LS60.86
NPOP-NITROPHENOLX2ZVP0.86
NPOP-NITROPHENOLA,B2I100.86
NPOP-NITROPHENOLA1VAH0.86
NPOP-NITROPHENOLA,B3ETT0.86
NPOP-NITROPHENOLA,B2D200.86
NPOP-NITROPHENOLX2ZYV0.86
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.79
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.79
4NP4-NITROPHENYL PHOSPHATEA2I6P0.79
4NS4-nitrophenyl sulfateX2ZYU0.81
4NC4-NITROCATECHOLA1NO30.88
4NC4-NITROCATECHOLB2BUU0.88
4NC4-NITROCATECHOLB2BUZ0.88
4NC4-NITROCATECHOLB1EOC0.88
DNF2,4-DINITROPHENOLA,B2B160.89
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.89
DNF2,4-DINITROPHENOLA1GVO0.89
DNF2,4-DINITROPHENOLA,B2B150.89
DNF2,4-DINITROPHENOLA,B2B140.89
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.74
2AC2-AMINO-P-CRESOLA1L4M0.74
TNFPICRIC ACIDA1GVS0.86
TNFPICRIC ACIDX1VYP0.86
TNFPICRIC ACIDA1VYR0.86
TNFPICRIC ACIDX1VYS0.86
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.78
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.78
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.96
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.75
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
NCR2-NITRO-P-CRESOLA,B1AHV0.85
4NL4-AMINOPHENOLA2ORL0.76