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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03074448

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.76
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.7
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.7
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.7
NPOP-NITROPHENOLA,B1Z440.74
NPOP-NITROPHENOLX2ZYW0.74
NPOP-NITROPHENOLH,L1YEK0.74
NPOP-NITROPHENOLA,C,E,G43CA0.74
NPOP-NITROPHENOLA1LS60.74
NPOP-NITROPHENOLX2ZVP0.74
NPOP-NITROPHENOLA,B2I100.74
NPOP-NITROPHENOLA1VAH0.74
NPOP-NITROPHENOLA,B3ETT0.74
NPOP-NITROPHENOLA,B2D200.74
NPOP-NITROPHENOLX2ZYV0.74
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.77
TNFPICRIC ACIDA1GVS0.76
TNFPICRIC ACIDX1VYP0.76
TNFPICRIC ACIDA1VYR0.76
TNFPICRIC ACIDX1VYS0.76
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
SHASALICYLHYDROXAMIC ACIDX1V0H0.7
SHASALICYLHYDROXAMIC ACIDA2QPK0.7
SHASALICYLHYDROXAMIC ACIDA3FNL0.7
SHASALICYLHYDROXAMIC ACIDA3GCJ0.7
SHASALICYLHYDROXAMIC ACIDA1CK60.7
TY23-AMINO-L-TYROSINEA,B2VH30.76
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
AZY3-AZIDO-L-TYROSINEA2YXN0.74
NIYMETA-NITRO-TYROSINEA2ADP0.83
NIYMETA-NITRO-TYROSINEA3DIV0.83
NIYMETA-NITRO-TYROSINEA2H5U0.83
NIYMETA-NITRO-TYROSINEA1K4Q0.83
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.83
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.78
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.73
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.77
NCR2-NITRO-P-CRESOLA,B1AHV0.86
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.78
2AC2-AMINO-P-CRESOLA1L4M0.78
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.7
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.82
DNC3,5-DINITROCATECHOLA3BWY0.72
DNC3,5-DINITROCATECHOLA3BWM0.72
DNC3,5-DINITROCATECHOLA1VID0.72
DNF2,4-DINITROPHENOLA,B2B160.78
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.78
DNF2,4-DINITROPHENOLA1GVO0.78
DNF2,4-DINITROPHENOLA,B2B150.78
DNF2,4-DINITROPHENOLA,B2B140.78
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.79
2AF2-AMINOPHENOLA1L4N0.73