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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03383419

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)BENZENAMINIUMP1E2S0.75
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.75
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.73
NPOP-NITROPHENOLA,B1Z440.75
NPOP-NITROPHENOLX2ZYW0.75
NPOP-NITROPHENOLH,L1YEK0.75
NPOP-NITROPHENOLA,C,E,G43CA0.75
NPOP-NITROPHENOLA1LS60.75
NPOP-NITROPHENOLX2ZVP0.75
NPOP-NITROPHENOLA,B2I100.75
NPOP-NITROPHENOLA1VAH0.75
NPOP-NITROPHENOLA,B3ETT0.75
NPOP-NITROPHENOLA,B2D200.75
NPOP-NITROPHENOLX2ZYV0.75
2AF2-AMINOPHENOLA1L4N0.71
4NC4-NITROCATECHOLA1NO30.77
4NC4-NITROCATECHOLB2BUU0.77
4NC4-NITROCATECHOLB2BUZ0.77
4NC4-NITROCATECHOLB1EOC0.77
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.79
DNF2,4-DINITROPHENOLA,B2B160.79
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.79
DNF2,4-DINITROPHENOLA1GVO0.79
DNF2,4-DINITROPHENOLA,B2B150.79
DNF2,4-DINITROPHENOLA,B2B140.79
4NS4-nitrophenyl sulfateX2ZYU0.71
DNC3,5-DINITROCATECHOLA3BWY0.79
DNC3,5-DINITROCATECHOLA3BWM0.79
DNC3,5-DINITROCATECHOLA1VID0.79
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
TNFPICRIC ACIDA1GVS0.77
TNFPICRIC ACIDX1VYP0.77
TNFPICRIC ACIDA1VYR0.77
TNFPICRIC ACIDX1VYS0.77
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.73
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
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.8
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.78
2AC2-AMINO-P-CRESOLA1L4M0.78
NIYMETA-NITRO-TYROSINEA2ADP0.76
NIYMETA-NITRO-TYROSINEA3DIV0.76
NIYMETA-NITRO-TYROSINEA2H5U0.76
NIYMETA-NITRO-TYROSINEA1K4Q0.76
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.76
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.85
NCR2-NITRO-P-CRESOLA,B1AHV0.89