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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03148682

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A,B,C,D2F980.77
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A1SJW0.77
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.81
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.77
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.7
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.82
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.82
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.82
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.82
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.82
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.82
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.82
FHIA,B1Y1D0.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.79
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.79
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1D830.71
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1EKH0.71
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1EKI0.71
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B,C,D1VAQ0.71
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
A,B1CP80.73
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
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
GENGENISTEINA1QKM0.71
GENGENISTEINA,B1X7J0.71
GENGENISTEINA,B2QA80.71
GENGENISTEINA1X7R0.71
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE
A,B1BP80.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.74
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.71
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.71
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.75
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.75
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE
A1N5V0.72
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.76
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.7
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.74
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.82
ESOO3-PHOSPHONOESTRONEB,C1ESS0.72
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.71
SAL2-HYDROXYBENZOIC ACIDA2I300.71
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.71
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.71
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.71
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.71
SAL2-HYDROXYBENZOIC ACIDA1WYG0.71
SAL2-HYDROXYBENZOIC ACIDA1JGS0.71
SAL2-HYDROXYBENZOIC ACIDX1M6E0.71
SAL2-HYDROXYBENZOIC ACIDA3B9M0.71
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.71
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.71
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.71
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE
A,B146D0.73
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE
A,B207D0.73
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.71
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.75
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.71
OSB2-SUCCINYLBENZOATEA1FHV0.72
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.72
OSB2-SUCCINYLBENZOATEA,B2QVH0.72
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.83
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.71
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.7
AZNALIZARIN REDH,I,J,K,L,M,
N,O
1OAR0.8
FLVFLAVIOLINA1ZDW0.75
FLVFLAVIOLINA1T930.75
FLVFLAVIOLINA2D090.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.73
EQUEQUILENINA,B1OGX0.71
EQUEQUILENINA,B,C,D,E,F1QJG0.71
EQUEQUILENINA,B1OH00.71
EQUEQUILENINA1W6Y0.71
EQUEQUILENINA,B1CQS0.71
EQUEQUILENINA1OGZ0.71
EQUEQUILENINA1GS30.71
EQUEQUILENINA1OHO0.71
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.74
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.76
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.71