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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02367527

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FL86,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONEB,C1KGJ0.76
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.72
SXXSINAPINATEA,B1WB40.72
SWFS-WARFARINA,B1OG50.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.73
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.82
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.83
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.83
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1KR30.78
1137,8-DIHYDROXY-1-METHOXY-3-METHYL-
10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-
B]CHROMENE-9-CARBOXYLIC ACID		A,B1HLK0.78
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE		A,B1X760.71
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.81
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.82
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.73
VXXVANILLATEA,B1WB60.78
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D1H1M0.81
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2C1Z0.81
NARNARINGENINA,B2UXU0.81
NARNARINGENINA2BRT0.81
NARNARINGENINA1CGK0.81
NARNARINGENINA,B1EYQ0.81
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.71
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.81
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.81
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.81
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.73
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.84
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.81
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.71
RUTRUTINA,B1RY80.8
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.78
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.77
8MOMETHOXSALENA,B,C,D1Z110.8
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.73
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID		A,B1JJE0.7
MOAMYCOPHENOLIC ACIDA1ME70.77
MOAMYCOPHENOLIC ACIDA,B1JR10.77
MOAMYCOPHENOLIC ACIDA1MEI0.77
MOAMYCOPHENOLIC ACIDA1MEH0.77
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.73
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.75
ZCTA,B,C,D,E,F,
G,H		3B6A0.7
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
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.82
SYRSYRINGATEA,B1WB50.82
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.7
FL9A,B1THC0.75
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.77
HIB4-HYDROXY-5-IODO-2,3-DIMETHOXY-
6-METHYLBENZOIC ACID		A2PIK0.78
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.72
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.77
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.88
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE		A1TTM0.7
R19ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-HEXYL-}-METHYL-AMIN		A,B,C1O6R0.7
SIGSTIGMATELLINC,D,E2BCC0.87
SIGSTIGMATELLINC,D,E3BCC0.87
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.77
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.77
GENGENISTEINA1QKM0.81
GENGENISTEINA,B1X7J0.81
GENGENISTEINA,B2QA80.81
GENGENISTEINA1X7R0.81
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.82
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.83
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.83
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.76
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.76
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.76
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D3C1T0.85
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O630.85
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A1E900.85
MYC3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D2IOD0.85
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.86
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.86
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.86
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.86
SMASTIGMATELLIN AC,H,L,M2JBL0.86
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.86
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.86
SMASTIGMATELLIN AA,C,D,E1KB90.86
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.86
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.86
SMASTIGMATELLIN AC,D,E2IBZ0.86
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.86
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.86
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.86
SMASTIGMATELLIN AC,D,E1EZV0.86
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.86
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.86
SMASTIGMATELLIN AC,D,E1SQX0.86
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,L,R1Q900.89
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,G2E760.89
TDS8-HYDROXY-5,7-DIMETHOXY-3-METHYL-
2-TRIDECYL-4H-CHROMEN-4-ONE		A,B,C,D,E,N,
O,P,Q,R		1VF50.89
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE		A,B2UXI0.75
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.74
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
AI73-(heptyloxy)benzoic acidA,B2O3Z0.74
FLVFLAVIOLINA1ZDW0.72
FLVFLAVIOLINA1T930.72
FLVFLAVIOLINA2D090.72
MAXMATAIRESINOLA2BGM0.72
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.84
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.73
REF2,3,7,8-tetrahydroxychromeno[5,4,3-
cde]chromene-5,10-dione		A2ZJW0.8
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.77
RDCRADICICOLA,B2Q8I0.71
RDCRADICICOLA,B1U0Z0.71
RDCRADICICOLA1BGQ0.71
RDCRADICICOLB,D,F,H2ZBK0.71
RDCRADICICOLA2HKJ0.71
RDCRADICICOLA,B,C3CGY0.71
RDCRADICICOLA,B2WER0.71
R17ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE		A,B,C1O6Q0.72
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
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.74
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.74
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.84
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.72
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O650.85
MYU3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2O640.86
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID		A2Q940.73
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.84
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE		A1N5V0.7
POD9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-
5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-
D][1,3]DIOXOL-6(5AH)-ONE		A,B,C,D1SA10.73
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.71
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.71
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.7
RWFR-WARFARINA,B2BXD0.71
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		C,D,E1EZV0.71
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		A,C,D,E1P840.71
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		C,D,E2IBZ0.71
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		A,C,D,E1KB90.71
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2BT40.72
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.78
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.7
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3BXX0.84
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2O3P0.84
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2UXH0.84
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1GP60.84
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA2C9Z0.84
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ20.84
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA3BPT0.84
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D,E,F3CF80.84
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B2HCK0.84
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA,B,C,D1H1I0.84
QUE3,5,7,3',4'-PENTAHYDROXYFLAVONEA1E8W0.84
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.72
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
FDSFLUORESCINH4FAB0.74
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		A2E140.8
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,B3C9W0.8
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.74
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.74
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
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE		A1EVE0.71
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID		H,I2A9N0.73
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL		A,B1U9E0.75
CX62,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-
G]PYRROLO[2,1-B][1,3]BENZOXAZIN-
11-ONE		A,B,C,D,E,F2AL40.72
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.71