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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02234741

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.74
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.8
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H		2O7D0.72
DHCCAFFEIC ACIDA1KOU0.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE		A1PE50.73
BZFBENZOFURANA182L0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.77
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.77
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine		A2VIN0.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.74
FDSFLUORESCINH4FAB0.71
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.7
HC4A1TS60.77
HC4A3PHY0.77
HC4A3PYP0.77
HC4A1T1C0.77
HC4A1OT60.77
HC4A1TS00.77
HC4A1T1A0.77
HC4A2PYP0.77
HC4A2ZOI0.77
HC4A1OTI0.77
HC4A1XFQ0.77
HC4A2D010.77
HC4A,B,C,D,E,F,
G,H		2O7B0.77
HC4A2ZOH0.77
HC4A1GSW0.77
HC4A2QJ70.77
HC4A1F9I0.77
HC4X1UWP0.77
HC4A2PHY0.77
HC4A1T1B0.77
HC4A1F980.77
HC4A1T190.77
HC4X1UWN0.77
HC4A,B,C,D,E,F,
G,H		2O7F0.77
HC4A1UGU0.77
HC4A1TS80.77
HC4A,B1OTD0.77
HC4A1OTE0.77
HC4A1GSX0.77
HC4A1TS70.77
HC4A2PYR0.77
HC4A1S4S0.77
HC4A1GSV0.77
HC4A2I9V0.77
HC4A2QWS0.77
HC4A1XFN0.77
HC4A1S4R0.77
HC4A1T180.77
HC4A1OTA0.77
HC4A1D7E0.77
HC4A1S1Z0.77
HC4A,B,C1MZU0.77
HC4A,B1ODV0.77
HC4A,B2J3J0.77
HC4A2QJ50.77
HC4A1OTB0.77
HC4A2D020.77
HC4A1OT90.77
HC4A1NWZ0.77
HC4A1S1Y0.77
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.7
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.74
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.76
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.78
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE		B166D0.7
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.88
SWFS-WARFARINA,B1OG50.79
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,B1JP30.73
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		A2W220.73
G123,8-DIBROMO-7-HYDROXY-4-METHYL-
2H-CHROMEN-2-ONE		A2QC60.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.73
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE		A1TTM0.73
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.77
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.71
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.71
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.72
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1V0.78
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.8
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.72
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.7
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.72
OHT4-HYDROXYTAMOXIFENA3ERT0.73
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.73
OHT4-HYDROXYTAMOXIFENA,B1VJB0.73
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.73
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.73
OHT4-HYDROXYTAMOXIFENA2GPU0.73
OHT4-HYDROXYTAMOXIFENA2P7Z0.73
OHT4-HYDROXYTAMOXIFENA,B2BJ40.73
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.73
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.71
OXNOXTOXYNOL-10A1IKT0.73
OXNOXTOXYNOL-10A,B2Q320.73
OXNOXTOXYNOL-10A,B1UEH0.73
OXNOXTOXYNOL-10A,B2D4Q0.73
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
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
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.75
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.75
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.75
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.71
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE		A1UPJ0.74
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
COUCOUMARINA3CRB0.88
COUCOUMARINA2PMJ0.88
COUCOUMARINA2H900.88
COUCOUMARINA,B,C,D1Z100.88
COUCOUMARINA2PWB0.88
SXXSINAPINATEA,B1WB40.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID		A2IME0.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID		A2IMD0.73
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose		A2VGD0.71
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.75
CIOCILOMILASTA,B1XOM0.7
CIOCILOMILASTA,B1XLX0.7
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
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.82
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID		A2OFF0.71
B76A,B2E9D0.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.78
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.77
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.71
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE		1,41EAH0.71
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE		1,43EPF0.71
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid		A3FUG0.73
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.71
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM		A1FJ50.72
2682-phenoxyethanolA2RBR0.71
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.71
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.77
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.78
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.75
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.75
MAXMATAIRESINOLA2BGM0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.75
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.75
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid		A2ZCQ0.71
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.73
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.72
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE		A2B5J0.71
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.72
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.77
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.73
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,C,E1KYZ0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1JT20.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A6ATJ0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1GKL0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GWT0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B,C2BJH0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GW20.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A3CBG0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A2BNJ0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1UWC0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A7ATJ0.78
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.77
8CM8-HYDROXYCOUMARINA2H8Z0.78
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.71
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.75
NOANAPHTHYLOXYACETIC ACIDI1IVP0.75
3A3A2CGU0.7
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.7
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.73
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.74
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID		A3CBS0.71
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.76
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.72
ANN4-METHOXYBENZOIC ACIDA2B960.76
ANN4-METHOXYBENZOIC ACIDA2QUE0.76
ANN4-METHOXYBENZOIC ACIDA1SV30.76
ANN4-METHOXYBENZOIC ACIDA1O2E0.76
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.76
RWFR-WARFARINA,B2BXD0.79
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
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.75
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.76
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.79
T4AC,D1KGI0.75
T4AA,B1Z7J0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.77
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A2OPA0.75
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A,B,C1MFI0.75
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE		A,B1GYY0.75
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.82