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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01730668

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.73
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.74
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.74
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.74
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O650.83
MOAMYCOPHENOLIC ACIDA1ME70.74
MOAMYCOPHENOLIC ACIDA,B1JR10.74
MOAMYCOPHENOLIC ACIDA1MEI0.74
MOAMYCOPHENOLIC ACIDA1MEH0.74
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.87
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.8
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.74
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWU0.8
VXXVANILLATEA,B1WB60.72
RDCRADICICOLA,B2Q8I0.78
RDCRADICICOLA,B1U0Z0.78
RDCRADICICOLA1BGQ0.78
RDCRADICICOLB,D,F,H2ZBK0.78
RDCRADICICOLA2HKJ0.78
RDCRADICICOLA,B,C3CGY0.78
RDCRADICICOLA,B2WER0.78
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O640.81
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.83
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.83
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.76
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.8
ANN4-METHOXYBENZOIC ACIDA2B960.75
ANN4-METHOXYBENZOIC ACIDA2QUE0.75
ANN4-METHOXYBENZOIC ACIDA1SV30.75
ANN4-METHOXYBENZOIC ACIDA1O2E0.75
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.75
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.87
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.87
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.87
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.83
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
A2E140.78
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.77
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.81
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE
A2IWX0.8
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.7
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D3C1T0.81
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O630.81
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A1E900.81
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D2IOD0.81
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ20.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.83
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.83
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.74
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.77
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
FL9A,B1THC0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.76
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.76
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.76
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.76
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.76
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.7
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.7
HIB4-HYDROXY-5-IODO-2,3-DIMETHOXY-
6-METHYLBENZOIC ACID
A2PIK0.7
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
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.82
GA93,3-BIS(3-BROMO-4-HYDROXYPHENYL)-
7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-
1-ONE
A,B,C,D2A9W0.71
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.74
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.81
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.81
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.81
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.81
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.81
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.71
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A,B,C,D2F980.73
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A1SJW0.73
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.76
REF2,3,7,8-tetrahydroxychromeno[5,4,3-
cde]chromene-5,10-dione
A2ZJW0.72
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
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.73
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.77
RWFR-WARFARINA,B2BXD0.72
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R
3H1I0.78
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.78
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CXH0.78
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.78
SMASTIGMATELLIN AC,H,L,M2JBL0.78
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W
2A060.78
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.78
SMASTIGMATELLIN AA,C,D,E1KB90.78
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.78
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.78
SMASTIGMATELLIN AC,D,E2IBZ0.78
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CX50.78
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2FYN0.78
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJY0.78
SMASTIGMATELLIN AC,D,E1EZV0.78
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.78
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S
3H1J0.78
SMASTIGMATELLIN AC,D,E1SQX0.78
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.72
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.72
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.86
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.91
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE
A1N5V0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
GENGENISTEINA1QKM0.93
GENGENISTEINA,B1X7J0.93
GENGENISTEINA,B2QA80.93
GENGENISTEINA1X7R0.93
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.7
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.7
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWS0.8
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.71
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.71
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.73
FDSFLUORESCINH4FAB0.77
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.72
3CAA,B2B770.79
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.75
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.75
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.72
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.72
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,B3C9W0.76
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.85
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE
A2CGF0.8
SWFS-WARFARINA,B1OG50.72
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
NARNARINGENINA,B2UXU0.86
NARNARINGENINA2BRT0.86
NARNARINGENINA1CGK0.86
NARNARINGENINA,B1EYQ0.86
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.78
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.72
8MOMETHOXSALENA,B,C,D1Z110.73
FLVFLAVIOLINA1ZDW0.74
FLVFLAVIOLINA1T930.74
FLVFLAVIOLINA2D090.74
SYRSYRINGATEA,B1WB50.74
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.73
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
RUTRUTINA,B1RY80.75
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.7
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.76
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.76
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.85
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.85
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
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.81
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.86
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,D2OM90.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.79
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A1E1Y0.8
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A,B3BLR0.8
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A1C8K0.8
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.77
SIGSTIGMATELLINC,D,E2BCC0.78
SIGSTIGMATELLINC,D,E3BCC0.78
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.71
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.76
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.91
FL86,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONEB,C1KGJ0.74