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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03455413

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.71
HBAP-HYDROXYBENZALDEHYDEA1K030.78
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.78
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.78
HBAP-HYDROXYBENZALDEHYDEA2GQ90.78
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.78
HBAP-HYDROXYBENZALDEHYDEA1OYB0.78
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.74
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.74
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.77
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.72
SAL2-HYDROXYBENZOIC ACIDA2I300.72
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.72
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.72
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.72
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.72
SAL2-HYDROXYBENZOIC ACIDA1WYG0.72
SAL2-HYDROXYBENZOIC ACIDA1JGS0.72
SAL2-HYDROXYBENZOIC ACIDX1M6E0.72
SAL2-HYDROXYBENZOIC ACIDA3B9M0.72
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.72
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.72
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.71
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.7
HC4A1TS60.72
HC4A3PHY0.72
HC4A3PYP0.72
HC4A1T1C0.72
HC4A1OT60.72
HC4A1TS00.72
HC4A1T1A0.72
HC4A2PYP0.72
HC4A2ZOI0.72
HC4A1OTI0.72
HC4A1XFQ0.72
HC4A2D010.72
HC4A,B,C,D,E,F,
G,H
2O7B0.72
HC4A2ZOH0.72
HC4A1GSW0.72
HC4A2QJ70.72
HC4A1F9I0.72
HC4X1UWP0.72
HC4A2PHY0.72
HC4A1T1B0.72
HC4A1F980.72
HC4A1T190.72
HC4X1UWN0.72
HC4A,B,C,D,E,F,
G,H
2O7F0.72
HC4A1UGU0.72
HC4A1TS80.72
HC4A,B1OTD0.72
HC4A1OTE0.72
HC4A1GSX0.72
HC4A1TS70.72
HC4A2PYR0.72
HC4A1S4S0.72
HC4A1GSV0.72
HC4A2I9V0.72
HC4A2QWS0.72
HC4A1XFN0.72
HC4A1S4R0.72
HC4A1T180.72
HC4A1OTA0.72
HC4A1D7E0.72
HC4A1S1Z0.72
HC4A,B,C1MZU0.72
HC4A,B1ODV0.72
HC4A,B2J3J0.72
HC4A2QJ50.72
HC4A1OTB0.72
HC4A2D020.72
HC4A1OT90.72
HC4A1NWZ0.72
HC4A1S1Y0.72
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.74
34Z3,4-dichlorobenzoateX2QVY0.81
34Z3,4-dichlorobenzoateX2QW00.81
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.71
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.73
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.83
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.71
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.73
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.75
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.79
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.74
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.75
4HP4-HYDROXYPHENYLACETATEA2YYJ0.75
4HP4-HYDROXYPHENYLACETATEA2YYM0.75
4HP4-HYDROXYPHENYLACETATEB1AI60.75
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.75
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.73
3HB3-HYDROXYBENZOIC ACIDA2DKH0.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.7
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.76
EAAETHACRYNIC ACIDA,B3DGQ0.73
EAAETHACRYNIC ACIDA,B11GS0.73
EAAETHACRYNIC ACIDA,B,C,D1GSF0.73
EAAETHACRYNIC ACIDA,B2GSS0.73
EAAETHACRYNIC ACIDA,B3GSS0.73
EAAETHACRYNIC ACIDA,B1GSE0.73
AC6P-HYDROXYACETOPHENONEA2GQ80.83
AC6P-HYDROXYACETOPHENONEX2O480.83
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.77
3BZ3-chlorobenzoateX2QVZ0.76
3BZ3-chlorobenzoateX2QVX0.76
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.71
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.71
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.76
1744-CHLORO-BENZOIC ACIDX1T5D0.76
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.7
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.73
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.8
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.71
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.74
3CAA,B2B770.82
PHBP-HYDROXYBENZOIC ACIDA1CJ40.77
PHBP-HYDROXYBENZOIC ACIDA1DOB0.77
PHBP-HYDROXYBENZOIC ACIDA1PXB0.77
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.77
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.77
PHBP-HYDROXYBENZOIC ACIDA1IUV0.77
PHBP-HYDROXYBENZOIC ACIDA1PBE0.77
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.77
PHBP-HYDROXYBENZOIC ACIDA1PDH0.77
PHBP-HYDROXYBENZOIC ACIDB2BUW0.77
PHBP-HYDROXYBENZOIC ACIDA1CC40.77
PHBP-HYDROXYBENZOIC ACIDA1CC60.77
PHBP-HYDROXYBENZOIC ACIDA1IUW0.77
PHBP-HYDROXYBENZOIC ACIDA1FW90.77
PHBP-HYDROXYBENZOIC ACIDA1G810.77
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.77
PHBP-HYDROXYBENZOIC ACIDA1IUX0.77
PHBP-HYDROXYBENZOIC ACIDA1CJ30.77
PHBP-HYDROXYBENZOIC ACIDA1D7L0.77
PHBP-HYDROXYBENZOIC ACIDA2PHH0.77
PHBP-HYDROXYBENZOIC ACIDA1BGN0.77
PHBP-HYDROXYBENZOIC ACIDA1PXA0.77
PHBP-HYDROXYBENZOIC ACIDA1DOC0.77
PHBP-HYDROXYBENZOIC ACIDA1K0I0.77
PHBP-HYDROXYBENZOIC ACIDA1BKW0.77
PHBP-HYDROXYBENZOIC ACIDA1JD30.77
PHBP-HYDROXYBENZOIC ACIDA1PXC0.77
PHBP-HYDROXYBENZOIC ACIDA1TT80.77
PHBP-HYDROXYBENZOIC ACIDA1CJ20.77
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.77
PHBP-HYDROXYBENZOIC ACIDA1BF30.77
PHBP-HYDROXYBENZOIC ACIDB2BUR0.77
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.85
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.76
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.76
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.77