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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009414

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
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
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.73
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.7
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.94
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.81
DNC3,5-DINITROCATECHOLA3BWY0.83
DNC3,5-DINITROCATECHOLA3BWM0.83
DNC3,5-DINITROCATECHOLA1VID0.83
4NC4-NITROCATECHOLA1NO30.75
4NC4-NITROCATECHOLB2BUU0.75
4NC4-NITROCATECHOLB2BUZ0.75
4NC4-NITROCATECHOLB1EOC0.75
4NS4-nitrophenyl sulfateX2ZYU0.76
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.72
TNFPICRIC ACIDA1GVS0.9
TNFPICRIC ACIDX1VYP0.9
TNFPICRIC ACIDA1VYR0.9
TNFPICRIC ACIDX1VYS0.9
2AC2-AMINO-P-CRESOLH,I1A2C0.79
2AC2-AMINO-P-CRESOLA1L4M0.79
NIYMETA-NITRO-TYROSINEA2ADP0.78
NIYMETA-NITRO-TYROSINEA3DIV0.78
NIYMETA-NITRO-TYROSINEA2H5U0.78
NIYMETA-NITRO-TYROSINEA1K4Q0.78
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.78
NCR2-NITRO-P-CRESOLA,B1AHV0.9
TY23-AMINO-L-TYROSINEA,B2VH30.71
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.85
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.71
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.72
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
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.74
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.74
4NP4-NITROPHENYL PHOSPHATEA2I6P0.74
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.74
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.74
NPOP-NITROPHENOLA,B1Z440.81
NPOP-NITROPHENOLX2ZYW0.81
NPOP-NITROPHENOLH,L1YEK0.81
NPOP-NITROPHENOLA,C,E,G43CA0.81
NPOP-NITROPHENOLA1LS60.81
NPOP-NITROPHENOLX2ZVP0.81
NPOP-NITROPHENOLA,B2I100.81
NPOP-NITROPHENOLA1VAH0.81
NPOP-NITROPHENOLA,B3ETT0.81
NPOP-NITROPHENOLA,B2D200.81
NPOP-NITROPHENOLX2ZYV0.81
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.8
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.73
4NL4-AMINOPHENOLA2ORL0.71
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.71
2AF2-AMINOPHENOLA1L4N0.73