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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01863778

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O650.83
SWFS-WARFARINA,B1OG50.76
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.73
R17ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE		A,B,C1O6Q0.71
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE		A1UPJ0.7
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.78
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.74
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.88
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.83
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.83
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.83
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.83
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.83
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O640.81
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D3C1T0.82
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O630.82
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A1E900.82
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D2IOD0.82
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.79
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.79
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.79
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.79
SMASTIGMATELLIN AC,H,L,M2JBL0.79
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.79
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.79
SMASTIGMATELLIN AA,C,D,E1KB90.79
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.79
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.79
SMASTIGMATELLIN AC,D,E2IBZ0.79
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.79
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.79
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.79
SMASTIGMATELLIN AC,D,E1EZV0.79
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.79
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.79
SMASTIGMATELLIN AC,D,E1SQX0.79
FLVFLAVIOLINA1ZDW0.71
FLVFLAVIOLINA1T930.71
FLVFLAVIOLINA2D090.71
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.72
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.75
AJA(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-
1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-
TETRAHYDRO-6H-BENZO[C]CHROMENE-
9-CARBOXYLIC ACID		A,B,C,D2OM90.73
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.88
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.79
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.79
FDSFLUORESCINH4FAB0.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ20.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.83
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.77
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.72
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.8
MOAMYCOPHENOLIC ACIDA1ME70.72
MOAMYCOPHENOLIC ACIDA,B1JR10.72
MOAMYCOPHENOLIC ACIDA1MEI0.72
MOAMYCOPHENOLIC ACIDA1MEH0.72
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.88
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1KR30.73
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1HLK0.73
FL9A,B1THC0.73
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,B3C9W0.74
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.76
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.76
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.76
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.76
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.76
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.81
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE		A1YI30.7
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE		A1E7V0.7
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.81
SIGSTIGMATELLINC,D,E2BCC0.79
SIGSTIGMATELLINC,D,E3BCC0.79
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.79
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.79
ANN4-METHOXYBENZOIC ACIDA2B960.72
ANN4-METHOXYBENZOIC ACIDA2QUE0.72
ANN4-METHOXYBENZOIC ACIDA1SV30.72
ANN4-METHOXYBENZOIC ACIDA1O2E0.72
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.72
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.77
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.71
GAJN-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-
2 SULPHONAMIDE		A2C4W0.72
R19ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-HEXYL-}-METHYL-AMIN		A,B,C1O6R0.7
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID		H,I2A9N0.8
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.73
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.7
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.8
REF2,3,7,8-tetrahydroxychromeno[5,4,3-
cde]chromene-5,10-dione		A2ZJW0.72
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.75
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL		A,B1U9E0.72
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.83
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.71
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.84
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.73
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.79
8MOMETHOXSALENA,B,C,D1Z110.77
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.75
SYRSYRINGATEA,B1WB50.7
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D1H1M0.86
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2C1Z0.86
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.84
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.85
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		A2E140.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.7
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE		A1TTM0.8
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.71
FL86,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONEB,C1KGJ0.77
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.71
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.71
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.77
RWFR-WARFARINA,B2BXD0.76
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.73
NARNARINGENINA,B2UXU0.84
NARNARINGENINA2BRT0.84
NARNARINGENINA1CGK0.84
NARNARINGENINA,B1EYQ0.84
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.77
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.74
RUTRUTINA,B1RY80.75
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid		A,B3B6C0.72
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,L,R1Q900.78
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,G2E760.78
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,E,N,
O,P,Q,R		1VF50.78
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.77
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID		A2Q940.72
GENGENISTEINA1QKM0.86
GENGENISTEINA,B1X7J0.86
GENGENISTEINA,B2QA80.86
GENGENISTEINA1X7R0.86
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.85
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.85
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.85
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.79
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.76
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.8
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.8
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.8
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.84
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE		A,B2UXI0.77