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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01896705

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
2612-ethoxyphenolX2RB10.72
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.76
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.79
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.74
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.79
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.77
VXXVANILLATEA,B1WB60.78
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.8
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.78
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.78
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.72
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.73
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,B1JP30.75
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		A2W220.75
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.76
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1V0.74
AC6P-HYDROXYACETOPHENONEA2GQ80.74
AC6P-HYDROXYACETOPHENONEX2O480.74
SXXSINAPINATEA,B1WB40.84
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.71
3A3A2CGU0.71
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
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.81
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.81
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.74
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.74
OXNOXTOXYNOL-10A1IKT0.75
OXNOXTOXYNOL-10A,B2Q320.75
OXNOXTOXYNOL-10A,B1UEH0.75
OXNOXTOXYNOL-10A,B2D4Q0.75
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.78
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.78
2LP2-ALLYLPHENOLA1OV50.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
COUCOUMARINA3CRB0.79
COUCOUMARINA2PMJ0.79
COUCOUMARINA2H900.79
COUCOUMARINA,B,C,D1Z100.79
COUCOUMARINA2PWB0.79
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.75
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.75
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID		A3CBS0.72
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.71
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.77
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A2OPA0.8
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A,B,C1MFI0.8
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A,B1GYY0.8
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.92
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.76
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.76
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.75
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.79
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.75
2682-phenoxyethanolA2RBR0.74
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.75
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1T0.77
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL		C,F1KYW0.75
RWFR-WARFARINA,B2BXD0.72
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.71
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.77
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
ANN4-METHOXYBENZOIC ACIDA2B960.82
ANN4-METHOXYBENZOIC ACIDA2QUE0.82
ANN4-METHOXYBENZOIC ACIDA1SV30.82
ANN4-METHOXYBENZOIC ACIDA1O2E0.82
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.82
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.77
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H		2O7D0.81
DHCCAFFEIC ACIDA1KOU0.81
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.74
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.74
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID		A2OFF0.75
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
2MP3,4-DIMETHYLPHENOLA1L5O0.71
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,B3C9W0.71
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.7
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.77
NOANAPHTHYLOXYACETIC ACIDI1IVP0.77
SWFS-WARFARINA,B1OG50.72
8CM8-HYDROXYCOUMARINA2H8Z0.78
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.74
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.84
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
HC4A1TS60.83
HC4A3PHY0.83
HC4A3PYP0.83
HC4A1T1C0.83
HC4A1OT60.83
HC4A1TS00.83
HC4A1T1A0.83
HC4A2PYP0.83
HC4A2ZOI0.83
HC4A1OTI0.83
HC4A1XFQ0.83
HC4A2D010.83
HC4A,B,C,D,E,F,
G,H		2O7B0.83
HC4A2ZOH0.83
HC4A1GSW0.83
HC4A2QJ70.83
HC4A1F9I0.83
HC4X1UWP0.83
HC4A2PHY0.83
HC4A1T1B0.83
HC4A1F980.83
HC4A1T190.83
HC4X1UWN0.83
HC4A,B,C,D,E,F,
G,H		2O7F0.83
HC4A1UGU0.83
HC4A1TS80.83
HC4A,B1OTD0.83
HC4A1OTE0.83
HC4A1GSX0.83
HC4A1TS70.83
HC4A2PYR0.83
HC4A1S4S0.83
HC4A1GSV0.83
HC4A2I9V0.83
HC4A2QWS0.83
HC4A1XFN0.83
HC4A1S4R0.83
HC4A1T180.83
HC4A1OTA0.83
HC4A1D7E0.83
HC4A1S1Z0.83
HC4A,B,C1MZU0.83
HC4A,B1ODV0.83
HC4A,B2J3J0.83
HC4A2QJ50.83
HC4A1OTB0.83
HC4A2D020.83
HC4A1OT90.83
HC4A1NWZ0.83
HC4A1S1Y0.83
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID		A2IME0.83
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID		A2IMD0.83
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.7
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.89
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.76
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.7
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
MBD3-METHYLCATECHOLA1KNF0.71
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.72
ETY4-ethylphenolA,B,C,D2RA60.74
SYRSYRINGATEA,B1WB50.75
T4AC,D1KGI0.73
T4AA,B1Z7J0.73
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,C,E1KYZ0.89
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1JT20.89
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A6ATJ0.89
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1GKL0.89
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GWT0.89
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B,C2BJH0.89
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GW20.89
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A3CBG0.89
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A2BNJ0.89
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1UWC0.89
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A7ATJ0.89
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
EAAETHACRYNIC ACIDA,B3DGQ0.72
EAAETHACRYNIC ACIDA,B11GS0.72
EAAETHACRYNIC ACIDA,B,C,D1GSF0.72
EAAETHACRYNIC ACIDA,B2GSS0.72
EAAETHACRYNIC ACIDA,B3GSS0.72
EAAETHACRYNIC ACIDA,B1GSE0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.78
AI73-(heptyloxy)benzoic acidA,B2O3Z0.78
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.77
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.81
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.76
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
MAXMATAIRESINOLA2BGM0.73
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.72
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		2BT40.7
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose		A2VGD0.78
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.72
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.71
PHBP-HYDROXYBENZOIC ACIDA1CJ40.72
PHBP-HYDROXYBENZOIC ACIDA1DOB0.72
PHBP-HYDROXYBENZOIC ACIDA1PXB0.72
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.72
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUV0.72
PHBP-HYDROXYBENZOIC ACIDA1PBE0.72
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.72
PHBP-HYDROXYBENZOIC ACIDA1PDH0.72
PHBP-HYDROXYBENZOIC ACIDB2BUW0.72
PHBP-HYDROXYBENZOIC ACIDA1CC40.72
PHBP-HYDROXYBENZOIC ACIDA1CC60.72
PHBP-HYDROXYBENZOIC ACIDA1IUW0.72
PHBP-HYDROXYBENZOIC ACIDA1FW90.72
PHBP-HYDROXYBENZOIC ACIDA1G810.72
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUX0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ30.72
PHBP-HYDROXYBENZOIC ACIDA1D7L0.72
PHBP-HYDROXYBENZOIC ACIDA2PHH0.72
PHBP-HYDROXYBENZOIC ACIDA1BGN0.72
PHBP-HYDROXYBENZOIC ACIDA1PXA0.72
PHBP-HYDROXYBENZOIC ACIDA1DOC0.72
PHBP-HYDROXYBENZOIC ACIDA1K0I0.72
PHBP-HYDROXYBENZOIC ACIDA1BKW0.72
PHBP-HYDROXYBENZOIC ACIDA1JD30.72
PHBP-HYDROXYBENZOIC ACIDA1PXC0.72
PHBP-HYDROXYBENZOIC ACIDA1TT80.72
PHBP-HYDROXYBENZOIC ACIDA1CJ20.72
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.72
PHBP-HYDROXYBENZOIC ACIDA1BF30.72
PHBP-HYDROXYBENZOIC ACIDB2BUR0.72
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.71
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K		1EV60.71
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.81