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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00048255

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.79
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.78
HBAP-HYDROXYBENZALDEHYDEA1K030.78
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.78
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.78
HBAP-HYDROXYBENZALDEHYDEA2GQ90.78
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.78
HBAP-HYDROXYBENZALDEHYDEA1OYB0.78
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.74
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
A2E140.72
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
3MB3-METHOXYBENZAMIDEA3PAX0.79
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
VXXVANILLATEA,B1WB60.77
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.72
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.7
SAL2-HYDROXYBENZOIC ACIDA2I300.7
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.7
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.7
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.7
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.7
SAL2-HYDROXYBENZOIC ACIDA1WYG0.7
SAL2-HYDROXYBENZOIC ACIDA1JGS0.7
SAL2-HYDROXYBENZOIC ACIDX1M6E0.7
SAL2-HYDROXYBENZOIC ACIDA3B9M0.7
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.7
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.7
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.7
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A1W6J0.74
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A,B,C1GSZ0.74
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.71
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
AC6P-HYDROXYACETOPHENONEA2GQ80.84
AC6P-HYDROXYACETOPHENONEX2O480.84
ANN4-METHOXYBENZOIC ACIDA2B960.85
ANN4-METHOXYBENZOIC ACIDA2QUE0.85
ANN4-METHOXYBENZOIC ACIDA1SV30.85
ANN4-METHOXYBENZOIC ACIDA1O2E0.85
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.85
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
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.8
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.8
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.71
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.71
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.71
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.71
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.71
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.7
AI73-(heptyloxy)benzoic acidA,B2O3Z0.79
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
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.77
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.77
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.77
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.76
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
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
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.74
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.72
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.72
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ40.75
PHBP-HYDROXYBENZOIC ACIDA1DOB0.75
PHBP-HYDROXYBENZOIC ACIDA1PXB0.75
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.75
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.75
PHBP-HYDROXYBENZOIC ACIDA1IUV0.75
PHBP-HYDROXYBENZOIC ACIDA1PBE0.75
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.75
PHBP-HYDROXYBENZOIC ACIDA1PDH0.75
PHBP-HYDROXYBENZOIC ACIDB2BUW0.75
PHBP-HYDROXYBENZOIC ACIDA1CC40.75
PHBP-HYDROXYBENZOIC ACIDA1CC60.75
PHBP-HYDROXYBENZOIC ACIDA1IUW0.75
PHBP-HYDROXYBENZOIC ACIDA1FW90.75
PHBP-HYDROXYBENZOIC ACIDA1G810.75
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.75
PHBP-HYDROXYBENZOIC ACIDA1IUX0.75
PHBP-HYDROXYBENZOIC ACIDA1CJ30.75
PHBP-HYDROXYBENZOIC ACIDA1D7L0.75
PHBP-HYDROXYBENZOIC ACIDA2PHH0.75
PHBP-HYDROXYBENZOIC ACIDA1BGN0.75
PHBP-HYDROXYBENZOIC ACIDA1PXA0.75
PHBP-HYDROXYBENZOIC ACIDA1DOC0.75
PHBP-HYDROXYBENZOIC ACIDA1K0I0.75
PHBP-HYDROXYBENZOIC ACIDA1BKW0.75
PHBP-HYDROXYBENZOIC ACIDA1JD30.75
PHBP-HYDROXYBENZOIC ACIDA1PXC0.75
PHBP-HYDROXYBENZOIC ACIDA1TT80.75
PHBP-HYDROXYBENZOIC ACIDA1CJ20.75
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.75
PHBP-HYDROXYBENZOIC ACIDA1BF30.75
PHBP-HYDROXYBENZOIC ACIDB2BUR0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.75
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.76
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.74
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.72
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.73
GENGENISTEINA1QKM0.75
GENGENISTEINA,B1X7J0.75
GENGENISTEINA,B2QA80.75
GENGENISTEINA1X7R0.75
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.73
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.8
T4AC,D1KGI0.7
T4AA,B1Z7J0.7
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
BZFBENZOFURANA182L0.77
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.81
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.81
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.7
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.73
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.74
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.8
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.74
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.74
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.74
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.77
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.75
SYRSYRINGATEA,B1WB50.74
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.72
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.7
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.72
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.71
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.78
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.75
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
NARNARINGENINA,B2UXU0.73
NARNARINGENINA2BRT0.73
NARNARINGENINA1CGK0.73
NARNARINGENINA,B1EYQ0.73
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.71
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.74
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.74
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.7
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.7
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.72
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