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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02289573

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1744-CHLORO-BENZOIC ACIDX3DLP0.72
1744-CHLORO-BENZOIC ACIDX1T5D0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.74
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.74
AC6P-HYDROXYACETOPHENONEA2GQ80.75
AC6P-HYDROXYACETOPHENONEX2O480.75
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.7
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.73
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.76
3CAA,B2B770.77
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.78
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.73
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.72
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.72
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
34Z3,4-dichlorobenzoateX2QVY0.76
34Z3,4-dichlorobenzoateX2QW00.76
EQIEQUILINA,B1EQU0.7
HC4A1TS60.74
HC4A3PHY0.74
HC4A3PYP0.74
HC4A1T1C0.74
HC4A1OT60.74
HC4A1TS00.74
HC4A1T1A0.74
HC4A2PYP0.74
HC4A2ZOI0.74
HC4A1OTI0.74
HC4A1XFQ0.74
HC4A2D010.74
HC4A,B,C,D,E,F,
G,H
2O7B0.74
HC4A2ZOH0.74
HC4A1GSW0.74
HC4A2QJ70.74
HC4A1F9I0.74
HC4X1UWP0.74
HC4A2PHY0.74
HC4A1T1B0.74
HC4A1F980.74
HC4A1T190.74
HC4X1UWN0.74
HC4A,B,C,D,E,F,
G,H
2O7F0.74
HC4A1UGU0.74
HC4A1TS80.74
HC4A,B1OTD0.74
HC4A1OTE0.74
HC4A1GSX0.74
HC4A1TS70.74
HC4A2PYR0.74
HC4A1S4S0.74
HC4A1GSV0.74
HC4A2I9V0.74
HC4A2QWS0.74
HC4A1XFN0.74
HC4A1S4R0.74
HC4A1T180.74
HC4A1OTA0.74
HC4A1D7E0.74
HC4A1S1Z0.74
HC4A,B,C1MZU0.74
HC4A,B1ODV0.74
HC4A,B2J3J0.74
HC4A2QJ50.74
HC4A1OTB0.74
HC4A2D020.74
HC4A1OT90.74
HC4A1NWZ0.74
HC4A1S1Y0.74
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.71
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.76
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
HBAP-HYDROXYBENZALDEHYDEA1K030.71
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.71
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.71
HBAP-HYDROXYBENZALDEHYDEA2GQ90.71
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.71
HBAP-HYDROXYBENZALDEHYDEA1OYB0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.7
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.7