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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01591005

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AZNALIZARIN REDH,I,J,K,L,M,
N,O
1OAR0.72
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
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.71
ETY4-ethylphenolA,B,C,D2RA60.71
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
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.7
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.71
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.74
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.72
AC6P-HYDROXYACETOPHENONEA2GQ80.86
AC6P-HYDROXYACETOPHENONEX2O480.86
EQIEQUILINA,B1EQU0.7
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.71
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.7
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.74
3HB3-HYDROXYBENZOIC ACIDA2DKH0.74
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
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.77
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.75
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.75
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.7
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.7
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.86
HBAP-HYDROXYBENZALDEHYDEA1K030.79
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.79
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.79
HBAP-HYDROXYBENZALDEHYDEA2GQ90.79
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.79
HBAP-HYDROXYBENZALDEHYDEA1OYB0.79
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.76
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.73
FHIA,B1Y1D0.7
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
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.7
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.71
OBPA,B2DE30.71
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.75
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.73
ZTWRALOXIFENE COREA,B1GWQ0.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.72
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
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7