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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01075313

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EAAETHACRYNIC ACIDA,B3DGQ0.8
EAAETHACRYNIC ACIDA,B11GS0.8
EAAETHACRYNIC ACIDA,B,C,D1GSF0.8
EAAETHACRYNIC ACIDA,B2GSS0.8
EAAETHACRYNIC ACIDA,B3GSS0.8
EAAETHACRYNIC ACIDA,B1GSE0.8
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.74
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.73
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.77
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.77
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.78
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.74
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.79
RDCRADICICOLA,B2Q8I0.7
RDCRADICICOLA,B1U0Z0.7
RDCRADICICOLA1BGQ0.7
RDCRADICICOLB,D,F,H2ZBK0.7
RDCRADICICOLA2HKJ0.7
RDCRADICICOLA,B,C3CGY0.7
RDCRADICICOLA,B2WER0.7
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.71
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.73
T4AC,D1KGI0.71
T4AA,B1Z7J0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
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
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWS0.7
RWFR-WARFARINA,B2BXD0.7
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE		A1TSL0.73
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.73
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
DIC3,4-DICHLOROISOCOUMARINA1DIC0.7
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.71
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.72
VXXVANILLATEA,B1WB60.74
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.75
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.75
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.75
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAV0.76
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAX0.76
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE		A2CGF0.7
GENGENISTEINA1QKM0.71
GENGENISTEINA,B1X7J0.71
GENGENISTEINA,B2QA80.71
GENGENISTEINA1X7R0.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.72
3CAA,B2B770.74
COUCOUMARINA3CRB0.71
COUCOUMARINA2PMJ0.71
COUCOUMARINA2H900.71
COUCOUMARINA,B,C,D1Z100.71
COUCOUMARINA2PWB0.71
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
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.82
SWFS-WARFARINA,B1OG50.7
NARNARINGENINA,B2UXU0.72
NARNARINGENINA2BRT0.72
NARNARINGENINA1CGK0.72
NARNARINGENINA,B1EYQ0.72
SYRSYRINGATEA,B1WB50.72
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE		A2IWX0.7
AI73-(heptyloxy)benzoic acidA,B2O3Z0.75
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
FDSFLUORESCINH4FAB0.72
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.73
ANN4-METHOXYBENZOIC ACIDA2B960.8
ANN4-METHOXYBENZOIC ACIDA2QUE0.8
ANN4-METHOXYBENZOIC ACIDA1SV30.8
ANN4-METHOXYBENZOIC ACIDA1O2E0.8
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.8
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.72
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.71
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL		A,B1U9E0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.72
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.78
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.73
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.74
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.72
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWU0.7
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.7
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.72
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.73
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.77
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE		A1TTM0.71
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.79
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.79
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
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