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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00047164

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.74
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.74
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.74
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.79
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.7
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.7
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.82
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.83
8MOMETHOXSALENA,B,C,D1Z110.71
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.74
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.75
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.75
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.83
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.76
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.72
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.74
NARNARINGENINA,B2UXU0.76
NARNARINGENINA2BRT0.76
NARNARINGENINA1CGK0.76
NARNARINGENINA,B1EYQ0.76
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
3MB3-METHOXYBENZAMIDEA3PAX0.76
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.79
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.7
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.71
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.71
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
A2E140.74
MOAMYCOPHENOLIC ACIDA1ME70.72
MOAMYCOPHENOLIC ACIDA,B1JR10.72
MOAMYCOPHENOLIC ACIDA1MEI0.72
MOAMYCOPHENOLIC ACIDA1MEH0.72
GENGENISTEINA1QKM0.79
GENGENISTEINA,B1X7J0.79
GENGENISTEINA,B2QA80.79
GENGENISTEINA1X7R0.79
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.72
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.74
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.74
SAL2-HYDROXYBENZOIC ACIDA2I300.74
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.74
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.74
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.74
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.74
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.74
SAL2-HYDROXYBENZOIC ACIDA1WYG0.74
SAL2-HYDROXYBENZOIC ACIDA1JGS0.74
SAL2-HYDROXYBENZOIC ACIDX1M6E0.74
SAL2-HYDROXYBENZOIC ACIDA3B9M0.74
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.74
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.74
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.74
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.75
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.79
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.75
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
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,B3C9W0.73
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.73
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1YI30.72
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1E7V0.72
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.82
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.82
VXXVANILLATEA,B1WB60.75
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.81
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.7
AC6P-HYDROXYACETOPHENONEA2GQ80.77
AC6P-HYDROXYACETOPHENONEX2O480.77
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.79
ANN4-METHOXYBENZOIC ACIDA2B960.83
ANN4-METHOXYBENZOIC ACIDA2QUE0.83
ANN4-METHOXYBENZOIC ACIDA1SV30.83
ANN4-METHOXYBENZOIC ACIDA1O2E0.83
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.83
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.78
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.74
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R
3H1I0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.7
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CXH0.7
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.7
SMASTIGMATELLIN AC,H,L,M2JBL0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W
2A060.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.7
SMASTIGMATELLIN AA,C,D,E1KB90.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.7
SMASTIGMATELLIN AC,D,E2IBZ0.7
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W
3CX50.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2FYN0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJY0.7
SMASTIGMATELLIN AC,D,E1EZV0.7
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.7
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S
3H1J0.7
SMASTIGMATELLIN AC,D,E1SQX0.7
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.72
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.76
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.77
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.77
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.77
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.79
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.79
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.79
SYRSYRINGATEA,B1WB50.72
PHBP-HYDROXYBENZOIC ACIDA1CJ40.73
PHBP-HYDROXYBENZOIC ACIDA1DOB0.73
PHBP-HYDROXYBENZOIC ACIDA1PXB0.73
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.73
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.73
PHBP-HYDROXYBENZOIC ACIDA1IUV0.73
PHBP-HYDROXYBENZOIC ACIDA1PBE0.73
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.73
PHBP-HYDROXYBENZOIC ACIDA1PDH0.73
PHBP-HYDROXYBENZOIC ACIDB2BUW0.73
PHBP-HYDROXYBENZOIC ACIDA1CC40.73
PHBP-HYDROXYBENZOIC ACIDA1CC60.73
PHBP-HYDROXYBENZOIC ACIDA1IUW0.73
PHBP-HYDROXYBENZOIC ACIDA1FW90.73
PHBP-HYDROXYBENZOIC ACIDA1G810.73
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.73
PHBP-HYDROXYBENZOIC ACIDA1IUX0.73
PHBP-HYDROXYBENZOIC ACIDA1CJ30.73
PHBP-HYDROXYBENZOIC ACIDA1D7L0.73
PHBP-HYDROXYBENZOIC ACIDA2PHH0.73
PHBP-HYDROXYBENZOIC ACIDA1BGN0.73
PHBP-HYDROXYBENZOIC ACIDA1PXA0.73
PHBP-HYDROXYBENZOIC ACIDA1DOC0.73
PHBP-HYDROXYBENZOIC ACIDA1K0I0.73
PHBP-HYDROXYBENZOIC ACIDA1BKW0.73
PHBP-HYDROXYBENZOIC ACIDA1JD30.73
PHBP-HYDROXYBENZOIC ACIDA1PXC0.73
PHBP-HYDROXYBENZOIC ACIDA1TT80.73
PHBP-HYDROXYBENZOIC ACIDA1CJ20.73
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.73
PHBP-HYDROXYBENZOIC ACIDA1BF30.73
PHBP-HYDROXYBENZOIC ACIDB2BUR0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.7
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.73
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP50.7
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP60.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.7
HBAP-HYDROXYBENZALDEHYDEA1K030.79
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.79
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.79
HBAP-HYDROXYBENZALDEHYDEA2GQ90.79
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.79
HBAP-HYDROXYBENZALDEHYDEA1OYB0.79
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
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
BZFBENZOFURANA182L0.77
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.78
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.74
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
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.75
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.7
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.7
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.72
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.77
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.7
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.71
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.72
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.72
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.81
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.76
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.73
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.78
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.7
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.72
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.76
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
A1GP50.7
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE
D,F2C290.7