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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02203078

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.8
NCR2-NITRO-P-CRESOLA,B1AHV0.79
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.88
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.7
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.76
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.83
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.83
4NP4-NITROPHENYL PHOSPHATEA2I6P0.83
NPOP-NITROPHENOLA,B1Z440.92
NPOP-NITROPHENOLX2ZYW0.92
NPOP-NITROPHENOLH,L1YEK0.92
NPOP-NITROPHENOLA,C,E,G43CA0.92
NPOP-NITROPHENOLA1LS60.92
NPOP-NITROPHENOLX2ZVP0.92
NPOP-NITROPHENOLA,B2I100.92
NPOP-NITROPHENOLA1VAH0.92
NPOP-NITROPHENOLA,B3ETT0.92
NPOP-NITROPHENOLA,B2D200.92
NPOP-NITROPHENOLX2ZYV0.92
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.8
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.8
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.83
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.83
TNFPICRIC ACIDA1GVS0.83
TNFPICRIC ACIDX1VYP0.83
TNFPICRIC ACIDA1VYR0.83
TNFPICRIC ACIDX1VYS0.83
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.72
HABA,B1SRE0.72
4NC4-NITROCATECHOLA1NO30.84
4NC4-NITROCATECHOLB2BUU0.84
4NC4-NITROCATECHOLB2BUZ0.84
4NC4-NITROCATECHOLB1EOC0.84
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.78
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
4NL4-AMINOPHENOLA2ORL0.82
2AF2-AMINOPHENOLA1L4N0.77
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.72
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.74
4NS4-nitrophenyl sulfateX2ZYU0.85
EDREDROPHONIUM IONA1AX90.71
EDREDROPHONIUM IONA2ACK0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.75
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.72
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.81
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.81
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.72
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.72
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.84
DNC3,5-DINITROCATECHOLA3BWY0.78
DNC3,5-DINITROCATECHOLA3BWM0.78
DNC3,5-DINITROCATECHOLA1VID0.78
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.72
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.71
MHBA,B1SRG0.7
DNF2,4-DINITROPHENOLA,B2B160.86
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.86
DNF2,4-DINITROPHENOLA1GVO0.86
DNF2,4-DINITROPHENOLA,B2B150.86
DNF2,4-DINITROPHENOLA,B2B140.86