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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01979506

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.73
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.71
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.72
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.72
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.72
965(3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-
DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID		A,B,D1PQ60.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.71
FDSFLUORESCINH4FAB0.76
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.71
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.75
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID		H,I2A9N0.76
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
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL		A,B2POG0.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
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
C187-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-
2H-CHROMEN-2-ONE		A,B2V610.79
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE		A1TTM0.77
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.71
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.7
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE		A2CGF0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.79
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.79
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.79
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.79
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.79
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE		A1UPJ0.74
AI73-(heptyloxy)benzoic acidA,B2O3Z0.71
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.73
RWFR-WARFARINA,B2BXD0.77
COUCOUMARINA3CRB0.71
COUCOUMARINA2PMJ0.71
COUCOUMARINA2H900.71
COUCOUMARINA,B,C,D1Z100.71
COUCOUMARINA2PWB0.71
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWS0.72
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.75
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE		1,41EAH0.71
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE		1,43EPF0.71
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.72
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.75
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.74
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAV0.74
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAX0.74
8MOMETHOXSALENA,B,C,D1Z110.72
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.74
IKRmethyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoateA,C,D,E,N,P,
Q,R		3H1K0.71
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ20.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.7
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE		A2IWX0.72
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.8
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.8
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.72
SWFS-WARFARINA,B1OG50.77
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.76
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.74
GENGENISTEINA1QKM0.73
GENGENISTEINA,B1X7J0.73
GENGENISTEINA,B2QA80.73
GENGENISTEINA1X7R0.73
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.74
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
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.71
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,D2OM90.79
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.73
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.74
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.75
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.74
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.71
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.77
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.7
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.83
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.88
NARNARINGENINA,B2UXU0.73
NARNARINGENINA2BRT0.73
NARNARINGENINA1CGK0.73
NARNARINGENINA,B1EYQ0.73
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O650.7
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWU0.72