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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03020587

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.8
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.8
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.8
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.8
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.8
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.79
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.71
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.82
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.82
MOAMYCOPHENOLIC ACIDA1ME70.73
MOAMYCOPHENOLIC ACIDA,B1JR10.73
MOAMYCOPHENOLIC ACIDA1MEI0.73
MOAMYCOPHENOLIC ACIDA1MEH0.73
FL9A,B1THC0.72
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ20.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.73
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE
A2E140.7
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O640.71
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.71
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.71
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O650.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.72
BZFBENZOFURANA182L0.82
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.72
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.73
R17ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE
A,B,C1O6Q0.78
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.74
8MOMETHOXSALENA,B,C,D1Z110.78
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.74
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.75
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.73
GENGENISTEINA1QKM0.73
GENGENISTEINA,B1X7J0.73
GENGENISTEINA,B2QA80.73
GENGENISTEINA1X7R0.73
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.74
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.74
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.75
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.75
NARNARINGENINA,B2UXU0.74
NARNARINGENINA2BRT0.74
NARNARINGENINA1CGK0.74
NARNARINGENINA,B1EYQ0.74
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D3C1T0.7
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O630.7
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A1E900.7
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D2IOD0.7
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE
A,B,C,D,L,R1Q900.7
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE
A,B,C,D,G2E760.7
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE
A,B,C,D,E,N,
O,P,Q,R
1VF50.7
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.84
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.76
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
R19ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-HEXYL-}-METHYL-AMIN
A,B,C1O6R0.76
SIGSTIGMATELLINC,D,E2BCC0.7
SIGSTIGMATELLINC,D,E3BCC0.7
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.72
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.7
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.75
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.75
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.75