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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01527489

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.82
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.82
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.82
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.82
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.82
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.81
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.81
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.76
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.72
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.72
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		A2E140.77
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,B3C9W0.77
RDCRADICICOLA,B2Q8I0.77
RDCRADICICOLA,B1U0Z0.77
RDCRADICICOLA1BGQ0.77
RDCRADICICOLB,D,F,H2ZBK0.77
RDCRADICICOLA2HKJ0.77
RDCRADICICOLA,B,C3CGY0.77
RDCRADICICOLA,B2WER0.77
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.75
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.8
REF2,3,7,8-tetrahydroxychromeno[5,4,3-
cde]chromene-5,10-dione		A2ZJW0.73
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.72
MOAMYCOPHENOLIC ACIDA1ME70.73
MOAMYCOPHENOLIC ACIDA,B1JR10.73
MOAMYCOPHENOLIC ACIDA1MEI0.73
MOAMYCOPHENOLIC ACIDA1MEH0.73
SIGSTIGMATELLINC,D,E2BCC0.8
SIGSTIGMATELLINC,D,E3BCC0.8
FL9A,B1THC0.77
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
SYRSYRINGATEA,B1WB50.71
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D1H1M0.88
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2C1Z0.88
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.75
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.75
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.84
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.75
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
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.77
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.79
RWFR-WARFARINA,B2BXD0.74
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE		A,B2UXI0.76
3CAA,B2B770.75
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
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.73
NARNARINGENINA,B2UXU0.83
NARNARINGENINA2BRT0.83
NARNARINGENINA1CGK0.83
NARNARINGENINA,B1EYQ0.83
EAAETHACRYNIC ACIDA,B3DGQ0.71
EAAETHACRYNIC ACIDA,B11GS0.71
EAAETHACRYNIC ACIDA,B,C,D1GSF0.71
EAAETHACRYNIC ACIDA,B2GSS0.71
EAAETHACRYNIC ACIDA,B3GSS0.71
EAAETHACRYNIC ACIDA,B1GSE0.71
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.81
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.83
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.83
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.83
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.77
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE		A2CGF0.77
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.76
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE		A1TSL0.74
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.81
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.81
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.71
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.83
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID		H,I2A9N0.8
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.74
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.73
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.76
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.8
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B146D0.71
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B207D0.71
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,L,R1Q900.79
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,G2E760.79
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,E,N,
O,P,Q,R		1VF50.79
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.72
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
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWS0.77
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.7
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.76
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
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.86
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE		A,B1CP80.71
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O650.84
RUTRUTINA,B1RY80.78
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.84
FDSFLUORESCINH4FAB0.78
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE		A,B1X760.7
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID		A2Q940.74
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
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
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.81
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.81
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.81
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D3C1T0.84
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O630.84
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A1E900.84
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D2IOD0.84
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.86
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE		A,B1BP80.71
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE		A2IWX0.77
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.86
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.86
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.86
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.86
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.86
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ20.86
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.86
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.86
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.86
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.86
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.86
GENGENISTEINA1QKM0.85
GENGENISTEINA,B1X7J0.85
GENGENISTEINA,B2QA80.85
GENGENISTEINA1X7R0.85
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
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.82
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1D830.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKH0.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKI0.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B,C,D1VAQ0.7
FL86,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONEB,C1KGJ0.77
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O640.84
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.86
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.73
8MOMETHOXSALENA,B,C,D1Z110.75
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.79
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.86
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.74
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID		A,B1N5S0.71
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID		B1N5T0.71
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid		A,B3B6C0.72
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE		A,B1X780.72
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE		A,B1X7E0.72
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.72
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL		A,B1U9E0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.77
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.77
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.77
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.77
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.77
SWFS-WARFARINA,B1OG50.74
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.72
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWU0.77
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.76
FLVFLAVIOLINA1ZDW0.73
FLVFLAVIOLINA1T930.73
FLVFLAVIOLINA2D090.73