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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03374868

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ20.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.79
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.79
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.74
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.71
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.72
REF2,3,7,8-tetrahydroxychromeno[5,4,3-
cde]chromene-5,10-dione		A2ZJW0.75
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.76
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.73
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE		A1TTM0.74
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.71
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.8
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.74
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID		A2EVC0.73
FL9A,B1THC0.72
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.72
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
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.76
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE		A1N5V0.71
MOAMYCOPHENOLIC ACIDA1ME70.75
MOAMYCOPHENOLIC ACIDA,B1JR10.75
MOAMYCOPHENOLIC ACIDA1MEI0.75
MOAMYCOPHENOLIC ACIDA1MEH0.75
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL		A,B1U9E0.76
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID		A2Q940.79
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.77
RWFR-WARFARINA,B2BXD0.7
AFN8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1A1N1N0.74
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.87
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.87
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.87
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.87
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.87
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
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
8MOMETHOXSALENA,B,C,D1Z110.99
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.76
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.79
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.74
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.74
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.74
R19ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-HEXYL-}-METHYL-AMIN		A,B,C1O6R0.72
SIGSTIGMATELLINC,D,E2BCC0.79
SIGSTIGMATELLINC,D,E3BCC0.79
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.77
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.76
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.71
ANN4-METHOXYBENZOIC ACIDA2B960.7
ANN4-METHOXYBENZOIC ACIDA2QUE0.7
ANN4-METHOXYBENZOIC ACIDA1SV30.7
ANN4-METHOXYBENZOIC ACIDA1O2E0.7
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.7
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,D2OM90.7
GENGENISTEINA1QKM0.76
GENGENISTEINA,B1X7J0.76
GENGENISTEINA,B2QA80.76
GENGENISTEINA1X7R0.76
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.72
VXXVANILLATEA,B1WB60.73
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
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.76
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D1H1M0.77
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2C1Z0.77
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.75
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.83
SWFS-WARFARINA,B1OG50.7
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.74
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.8
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.7
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.77
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.77
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.75
KWT(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-
1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-
1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-
3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-
11-YL ACETATE		A3D5X0.73
KWT(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-
1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-
1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-
3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-
11-YL ACETATE		A1E7U0.73
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE		A,B1X780.73
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE		A,B1X7E0.73
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		A2E140.76
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.74
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
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O640.78
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.76
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.77
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.77
R17ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE		A,B,C1O6Q0.73
NARNARINGENINA,B2UXU0.74
NARNARINGENINA2BRT0.74
NARNARINGENINA1CGK0.74
NARNARINGENINA,B1EYQ0.74
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE		A,B1X760.73
C01(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-
3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-
1,2-BENZISOXAZOL-6-YL)OXY]ACETATE		A1ZEO0.74
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O650.77
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.71
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.74
HIB4-HYDROXY-5-IODO-2,3-DIMETHOXY-
6-METHYLBENZOIC ACID		A2PIK0.71
RUTRUTINA,B1RY80.75
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D3C1T0.78
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O630.78
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A1E900.78
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D2IOD0.78
BZFBENZOFURANA182L0.73
FDSFLUORESCINH4FAB0.74
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.78
SYRSYRINGATEA,B1WB50.75
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,L,R1Q900.77
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,G2E760.77
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,E,N,
O,P,Q,R		1VF50.77
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID		H,I2A9N0.73
POD9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-
5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-
D][1,3]DIOXOL-6(5AH)-ONE		A,B,C,D1SA10.7
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.71
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
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.74
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.73