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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813158

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.84
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.84
34D3,5-DIHYDROXYBENZOATEA,B2BX70.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
3BZ3-chlorobenzoateX2QVZ0.77
3BZ3-chlorobenzoateX2QVX0.77
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.93
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.93
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.93
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.93
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.93
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.79
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
3CAA,B2B770.76
2CH2-CHLOROPHENOLA1WBO0.71
34Z3,4-dichlorobenzoateX2QVY0.75
34Z3,4-dichlorobenzoateX2QW00.75
1744-CHLORO-BENZOIC ACIDX3DLP0.76
1744-CHLORO-BENZOIC ACIDX1T5D0.76
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.84
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.8
4HP4-HYDROXYPHENYLACETATEA2YYJ0.8
4HP4-HYDROXYPHENYLACETATEA2YYM0.8
4HP4-HYDROXYPHENYLACETATEB1AI60.8
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.8
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.78
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.78