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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03616465

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.74
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.74
OHT4-HYDROXYTAMOXIFENA3ERT0.7
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.7
OHT4-HYDROXYTAMOXIFENA,B1VJB0.7
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.7
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.7
OHT4-HYDROXYTAMOXIFENA2GPU0.7
OHT4-HYDROXYTAMOXIFENA2P7Z0.7
OHT4-HYDROXYTAMOXIFENA,B2BJ40.7
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.7
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.7
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.76
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.71
SXXSINAPINATEA,B1WB40.77
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.72
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.81
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
SWFS-WARFARINA,B1OG50.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.77
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.77
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.76
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.76
ETY4-ethylphenolA,B,C,D2RA60.76
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.77
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.91
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.81
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.73
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.74
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.73
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.74
DHCCAFFEIC ACIDA1KOU0.74
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.71
AI73-(heptyloxy)benzoic acidA,B2O3Z0.79
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.75
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.75
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
HBAP-HYDROXYBENZALDEHYDEA1K030.73
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.73
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.73
HBAP-HYDROXYBENZALDEHYDEA2GQ90.73
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.73
HBAP-HYDROXYBENZALDEHYDEA1OYB0.73
2682-phenoxyethanolA2RBR0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
2MP3,4-DIMETHYLPHENOLA1L5O0.73
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.72
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.78
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.73
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.72
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.7
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.77
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
VXXVANILLATEA,B1WB60.73
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID
A2OFF0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
OXNOXTOXYNOL-10A1IKT0.74
OXNOXTOXYNOL-10A,B2Q320.74
OXNOXTOXYNOL-10A,B1UEH0.74
OXNOXTOXYNOL-10A,B2D4Q0.74
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.72
AC6P-HYDROXYACETOPHENONEA2GQ80.77
AC6P-HYDROXYACETOPHENONEX2O480.77
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.77
8CM8-HYDROXYCOUMARINA2H8Z0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
2LP2-ALLYLPHENOLA1OV50.73
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.77
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.76
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.75
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.75
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.74
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.73
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.75
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.8
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.73
2612-ethoxyphenolX2RB10.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.7
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
A2E140.71
T4AC,D1KGI0.7
T4AA,B1Z7J0.7
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.71
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.72
NOANAPHTHYLOXYACETIC ACIDI1IVP0.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.75
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.7
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.78
PHBP-HYDROXYBENZOIC ACIDA1CJ40.7
PHBP-HYDROXYBENZOIC ACIDA1DOB0.7
PHBP-HYDROXYBENZOIC ACIDA1PXB0.7
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.7
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.7
PHBP-HYDROXYBENZOIC ACIDA1IUV0.7
PHBP-HYDROXYBENZOIC ACIDA1PBE0.7
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.7
PHBP-HYDROXYBENZOIC ACIDA1PDH0.7
PHBP-HYDROXYBENZOIC ACIDB2BUW0.7
PHBP-HYDROXYBENZOIC ACIDA1CC40.7
PHBP-HYDROXYBENZOIC ACIDA1CC60.7
PHBP-HYDROXYBENZOIC ACIDA1IUW0.7
PHBP-HYDROXYBENZOIC ACIDA1FW90.7
PHBP-HYDROXYBENZOIC ACIDA1G810.7
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.7
PHBP-HYDROXYBENZOIC ACIDA1IUX0.7
PHBP-HYDROXYBENZOIC ACIDA1CJ30.7
PHBP-HYDROXYBENZOIC ACIDA1D7L0.7
PHBP-HYDROXYBENZOIC ACIDA2PHH0.7
PHBP-HYDROXYBENZOIC ACIDA1BGN0.7
PHBP-HYDROXYBENZOIC ACIDA1PXA0.7
PHBP-HYDROXYBENZOIC ACIDA1DOC0.7
PHBP-HYDROXYBENZOIC ACIDA1K0I0.7
PHBP-HYDROXYBENZOIC ACIDA1BKW0.7
PHBP-HYDROXYBENZOIC ACIDA1JD30.7
PHBP-HYDROXYBENZOIC ACIDA1PXC0.7
PHBP-HYDROXYBENZOIC ACIDA1TT80.7
PHBP-HYDROXYBENZOIC ACIDA1CJ20.7
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.7
PHBP-HYDROXYBENZOIC ACIDA1BF30.7
PHBP-HYDROXYBENZOIC ACIDB2BUR0.7
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.77
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
RWFR-WARFARINA,B2BXD0.71
COUCOUMARINA3CRB0.77
COUCOUMARINA2PMJ0.77
COUCOUMARINA2H900.77
COUCOUMARINA,B,C,D1Z100.77
COUCOUMARINA2PWB0.77
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.73
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.74
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.72
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.78
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.71
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.7
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.74
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
3MB3-METHOXYBENZAMIDEA3PAX0.73
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.76
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.8
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
HC4A1TS60.8
HC4A3PHY0.8
HC4A3PYP0.8
HC4A1T1C0.8
HC4A1OT60.8
HC4A1TS00.8
HC4A1T1A0.8
HC4A2PYP0.8
HC4A2ZOI0.8
HC4A1OTI0.8
HC4A1XFQ0.8
HC4A2D010.8
HC4A,B,C,D,E,F,
G,H
2O7B0.8
HC4A2ZOH0.8
HC4A1GSW0.8
HC4A2QJ70.8
HC4A1F9I0.8
HC4X1UWP0.8
HC4A2PHY0.8
HC4A1T1B0.8
HC4A1F980.8
HC4A1T190.8
HC4X1UWN0.8
HC4A,B,C,D,E,F,
G,H
2O7F0.8
HC4A1UGU0.8
HC4A1TS80.8
HC4A,B1OTD0.8
HC4A1OTE0.8
HC4A1GSX0.8
HC4A1TS70.8
HC4A2PYR0.8
HC4A1S4S0.8
HC4A1GSV0.8
HC4A2I9V0.8
HC4A2QWS0.8
HC4A1XFN0.8
HC4A1S4R0.8
HC4A1T180.8
HC4A1OTA0.8
HC4A1D7E0.8
HC4A1S1Z0.8
HC4A,B,C1MZU0.8
HC4A,B1ODV0.8
HC4A,B2J3J0.8
HC4A2QJ50.8
HC4A1OTB0.8
HC4A2D020.8
HC4A1OT90.8
HC4A1NWZ0.8
HC4A1S1Y0.8
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.7
ANN4-METHOXYBENZOIC ACIDA2B960.81
ANN4-METHOXYBENZOIC ACIDA2QUE0.81
ANN4-METHOXYBENZOIC ACIDA1SV30.81
ANN4-METHOXYBENZOIC ACIDA1O2E0.81
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.81
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