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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02839000

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
34D3,5-DIHYDROXYBENZOATEA,B2BX70.7
3CAA,B2B770.77
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.73
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.79
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.73
3HB3-HYDROXYBENZOIC ACIDA2DKH0.73
1744-CHLORO-BENZOIC ACIDX3DLP0.75
1744-CHLORO-BENZOIC ACIDX1T5D0.75
34Z3,4-dichlorobenzoateX2QVY0.73
34Z3,4-dichlorobenzoateX2QW00.73
2CH2-CHLOROPHENOLA1WBO0.76
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.83
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.83
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.87
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.87
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.87
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.87
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.87
3BZ3-chlorobenzoateX2QVZ0.76
3BZ3-chlorobenzoateX2QVX0.76
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.74
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
43M4-CHLORO-3-METHYLPHENOLA2P7A0.76
3CH3-CHLOROPHENOLA1LI30.73
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.85