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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016826

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.71
NIYMETA-NITRO-TYROSINEA2ADP0.74
NIYMETA-NITRO-TYROSINEA3DIV0.74
NIYMETA-NITRO-TYROSINEA2H5U0.74
NIYMETA-NITRO-TYROSINEA1K4Q0.74
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.74
4NC4-NITROCATECHOLA1NO30.86
4NC4-NITROCATECHOLB2BUU0.86
4NC4-NITROCATECHOLB2BUZ0.86
4NC4-NITROCATECHOLB1EOC0.86
EDREDROPHONIUM IONA1AX90.73
EDREDROPHONIUM IONA2ACK0.73
4NS4-nitrophenyl sulfateX2ZYU0.79
NCR2-NITRO-P-CRESOLA,B1AHV0.83
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.72
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
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.72
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.72
4NL4-AMINOPHENOLA2ORL0.8
NIT4-NITROANILINEC,D1RMH0.7
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.7
NIT4-NITROANILINEB1VBS0.7
NIT4-NITROANILINEC1V9T0.7
NIT4-NITROANILINEC,D1VBT0.7
NIT4-NITROANILINEB1LOP0.7
NIT4-NITROANILINEC,D1ZKF0.7
NIT4-NITROANILINEB1PIP0.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.83
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.83
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.96
TNFPICRIC ACIDA1GVS0.84
TNFPICRIC ACIDX1VYP0.84
TNFPICRIC ACIDA1VYR0.84
TNFPICRIC ACIDX1VYS0.84
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
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73
2AC2-AMINO-P-CRESOLH,I1A2C0.78
2AC2-AMINO-P-CRESOLA1L4M0.78
DNC3,5-DINITROCATECHOLA3BWY0.86
DNC3,5-DINITROCATECHOLA3BWM0.86
DNC3,5-DINITROCATECHOLA1VID0.86
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.74
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.75
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.77
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.77
4NP4-NITROPHENYL PHOSPHATEA2I6P0.77
2AF2-AMINOPHENOLA1L4N0.85
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.76
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.76
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.76
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