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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02195102

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.81
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.74
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.79
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.7
RWFR-WARFARINA,B2BXD0.75
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
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.81
NARNARINGENINA,B2UXU0.79
NARNARINGENINA2BRT0.79
NARNARINGENINA1CGK0.79
NARNARINGENINA,B1EYQ0.79
FDSFLUORESCINH4FAB0.71
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID
A,B1KR30.7
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID
A,B1HLK0.7
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
FL9A,B1THC0.72
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.81
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.81
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1YI30.74
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1E7V0.74
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.73
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.73
T4AC,D1KGI0.71
T4AA,B1Z7J0.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.74
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.73
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.71
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.76
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.73
3MB3-METHOXYBENZAMIDEA3PAX0.71
GENGENISTEINA1QKM0.8
GENGENISTEINA,B1X7J0.8
GENGENISTEINA,B2QA80.8
GENGENISTEINA1X7R0.8
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.76
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.76
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.8
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.73
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D3C1T0.76
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O630.76
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A1E900.76
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D2IOD0.76
ANN4-METHOXYBENZOIC ACIDA2B960.72
ANN4-METHOXYBENZOIC ACIDA2QUE0.72
ANN4-METHOXYBENZOIC ACIDA1SV30.72
ANN4-METHOXYBENZOIC ACIDA1O2E0.72
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.8
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.8
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.8
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.76
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.76
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.79
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.79
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.79
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.79
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.79
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.7
MOAMYCOPHENOLIC ACIDA1ME70.7
MOAMYCOPHENOLIC ACIDA,B1JR10.7
MOAMYCOPHENOLIC ACIDA1MEI0.7
MOAMYCOPHENOLIC ACIDA1MEH0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.81
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.75
COUCOUMARINA3CRB0.76
COUCOUMARINA2PMJ0.76
COUCOUMARINA2H900.76
COUCOUMARINA,B,C,D1Z100.76
COUCOUMARINA2PWB0.76
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.71
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE
C1K3T0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.76
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.79
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.77
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.74
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP50.74
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
D,F2C290.74
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.71
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O640.77
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.72
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE
A1N5V0.72
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.73
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE
A,B,C,D,L,R1Q900.75
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE
A,B,C,D,G2E760.75
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE
A,B,C,D,E,N,
O,P,Q,R
1VF50.75
R17ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE
A,B,C1O6Q0.7
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.71
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.71
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ20.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.77
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.72
8MOMETHOXSALENA,B,C,D1Z110.77
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.72
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.9
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.76
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.76
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.76
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
A2E140.71
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione
A,B3C9W0.71
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.71
SIGSTIGMATELLINC,D,E2BCC0.75
SIGSTIGMATELLINC,D,E3BCC0.75
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.71
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.79
SWFS-WARFARINA,B1OG50.75
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.75
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R
3H1I0.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.75
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CXH0.75
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.75
SMASTIGMATELLIN AC,H,L,M2JBL0.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W
2A060.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.75
SMASTIGMATELLIN AA,C,D,E1KB90.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.75
SMASTIGMATELLIN AC,D,E2IBZ0.75
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CX50.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2FYN0.75
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJY0.75
SMASTIGMATELLIN AC,D,E1EZV0.75
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.75
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S
3H1J0.75
SMASTIGMATELLIN AC,D,E1SQX0.75
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.78
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.8
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.73
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.74
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O650.77
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.72
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.81
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.72
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.72
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.78
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP50.74
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP60.74
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.71
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.75
AI73-(heptyloxy)benzoic acidA,B2O3Z0.78
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.78
BZFBENZOFURANA182L0.84
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.7
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.72
FL86,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONEB,C1KGJ0.74