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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02447341

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.74
OSB2-SUCCINYLBENZOATEA1FHV0.76
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.76
OSB2-SUCCINYLBENZOATEA,B2QVH0.76
AZNALIZARIN REDH,I,J,K,L,M,
N,O		1OAR0.77
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.73
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.88
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.73
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1D830.81
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKH0.81
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKI0.81
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B,C,D1VAQ0.81
PMAPYROMELLITIC ACIDA,B1FUP0.72
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B146D0.8
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B207D0.8
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
34D3,5-DIHYDROXYBENZOATEA,B2BX70.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.71
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.71
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.71
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.71
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.7
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.7
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.7
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.71
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID		B1N5T0.92
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1T0.74
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D1H1M0.71
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2C1Z0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.74
AC6P-HYDROXYACETOPHENONEX2O480.74
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid		A,B3B6C0.79
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione		A,B2ZI80.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID		A1BZJ0.71
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.72
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.74
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.74
SAL2-HYDROXYBENZOIC ACIDA2I300.74
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.74
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.74
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.74
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.74
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.74
SAL2-HYDROXYBENZOIC ACIDA1WYG0.74
SAL2-HYDROXYBENZOIC ACIDA1JGS0.74
SAL2-HYDROXYBENZOIC ACIDX1M6E0.74
SAL2-HYDROXYBENZOIC ACIDA3B9M0.74
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.74
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.74
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL		A1YSG0.72
EQUEQUILENINA,B1OGX0.77
EQUEQUILENINA,B,C,D,E,F1QJG0.77
EQUEQUILENINA,B1OH00.77
EQUEQUILENINA1W6Y0.77
EQUEQUILENINA,B1CQS0.77
EQUEQUILENINA1OGZ0.77
EQUEQUILENINA1GS30.77
EQUEQUILENINA1OHO0.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2I0.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2J0.75
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.71
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE		A,B1UUM0.79
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid		A,B3BEJ0.76
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.72
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.73
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.75
3HB3-HYDROXYBENZOIC ACIDA2DKH0.75
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.74
3CAA,B2B770.74
FLVFLAVIOLINA1ZDW0.8
FLVFLAVIOLINA1T930.8
FLVFLAVIOLINA2D090.8
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.77
ANFANTHRONEH2BJM0.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.74
ZCTA,B,C,D,E,F,
G,H		3B6A0.8
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.7
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID		H,I2A9N0.72
PHTPHTHALIC ACIDA,B,C2B7P0.72
PHTPHTHALIC ACIDA3C2V0.72
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.72
PHTPHTHALIC ACIDA,B3C2R0.72
4FCA1YSG0.72
FHIA,B1Y1D0.77
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID		A,B1N5S0.9
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE		A1N5V0.77
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.79
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.71
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.71
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.75
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.71
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
ESOO3-PHOSPHONOESTRONEB,C1ESS0.7
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.78
DM5IDARUBICINA,B,D198D0.7
DM5IDARUBICINA1D380.7
DM5IDARUBICINA1D670.7
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.74
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.87
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.87
FDSFLUORESCINH4FAB0.72
FBCA,B2B9A0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B2BXE0.79
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B3D2T0.79
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.77
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.77
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
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.7
NARNARINGENINA,B2UXU0.7
NARNARINGENINA2BRT0.7
NARNARINGENINA1CGK0.7
NARNARINGENINA,B1EYQ0.7
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE		A,B1ZAF0.77
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one		A2GIU0.71
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid		A,B,C,D2Z770.71
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.79
FL86,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONEB,C1KGJ0.72
GENGENISTEINA1QKM0.73
GENGENISTEINA,B1X7J0.73
GENGENISTEINA,B2QA80.73
GENGENISTEINA1X7R0.73
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O640.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.86
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.86
OX1H,Y1LO20.72
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1V0.71
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE		A,B2UXI0.78
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.73
1NP1-NAPHTHOLX2ZVQ0.72
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.7
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.74
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE		A,B1CP80.8
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.73
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.72
EQIEQUILINA,B1EQU0.76
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.84
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.84
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid		A3FUG0.77
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.7
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE		A,B1BP80.8
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.71
26CA,B2F7I0.72
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.78
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.83