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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01936775

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWS0.73
RDCRADICICOLA,B2Q8I0.72
RDCRADICICOLA,B1U0Z0.72
RDCRADICICOLA1BGQ0.72
RDCRADICICOLB,D,F,H2ZBK0.72
RDCRADICICOLA2HKJ0.72
RDCRADICICOLA,B,C3CGY0.72
RDCRADICICOLA,B2WER0.72
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.71
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.75
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.76
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.76
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.76
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE
A2CGF0.73
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.72
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.78
FL9A,B1THC0.75
3CAA,B2B770.73
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
A2E140.73
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.7
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.71
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.7
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.72
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.71
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.7
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
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.75
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.78
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.72
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D3C1T0.73
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O630.73
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A1E900.73
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D2IOD0.73
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.76
GENGENISTEINA1QKM0.74
GENGENISTEINA,B1X7J0.74
GENGENISTEINA,B2QA80.74
GENGENISTEINA1X7R0.74
8MOMETHOXSALENA,B,C,D1Z110.78
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.71
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWU0.73
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.73
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.7
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.74
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.73
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP50.72
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP60.72
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.75
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
EAAETHACRYNIC ACIDA,B3DGQ0.74
EAAETHACRYNIC ACIDA,B11GS0.74
EAAETHACRYNIC ACIDA,B,C,D1GSF0.74
EAAETHACRYNIC ACIDA,B2GSS0.74
EAAETHACRYNIC ACIDA,B3GSS0.74
EAAETHACRYNIC ACIDA,B1GSE0.74
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
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.74
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.74
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.74
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.74
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.74
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
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.73
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.77
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.78
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.78
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
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.7
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O650.73
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE
A2IWX0.73
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP50.72
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
D,F2C290.72
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.75
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.76
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.74
FDSFLUORESCINH4FAB0.75
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.72
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.72
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.7
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.7
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.81
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O640.73
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ20.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.75
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.75
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.72
MOAMYCOPHENOLIC ACIDA1ME70.71
MOAMYCOPHENOLIC ACIDA,B1JR10.71
MOAMYCOPHENOLIC ACIDA1MEI0.71
MOAMYCOPHENOLIC ACIDA1MEH0.71
NARNARINGENINA,B2UXU0.75
NARNARINGENINA2BRT0.75
NARNARINGENINA1CGK0.75
NARNARINGENINA,B1EYQ0.75