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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00042258

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE
C1K3T0.74
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.82
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.82
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.82
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.82
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.82
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.82
SWFS-WARFARINA,B1OG50.81
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.72
SAL2-HYDROXYBENZOIC ACIDA2I300.72
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.72
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.72
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.72
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.72
SAL2-HYDROXYBENZOIC ACIDA1WYG0.72
SAL2-HYDROXYBENZOIC ACIDA1JGS0.72
SAL2-HYDROXYBENZOIC ACIDX1M6E0.72
SAL2-HYDROXYBENZOIC ACIDA3B9M0.72
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.72
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.72
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.72
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.73
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.78
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.8
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.74
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.75
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.7
DHCCAFFEIC ACIDA1KOU0.7
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
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.7
AJA(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-
1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-
TETRAHYDRO-6H-BENZO[C]CHROMENE-
9-CARBOXYLIC ACID
A,B,C,D2OM90.72
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.77
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.76
2LP2-ALLYLPHENOLA1OV50.71
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.72
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.78
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.75
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.75
HC4A1TS60.75
HC4A3PHY0.75
HC4A3PYP0.75
HC4A1T1C0.75
HC4A1OT60.75
HC4A1TS00.75
HC4A1T1A0.75
HC4A2PYP0.75
HC4A2ZOI0.75
HC4A1OTI0.75
HC4A1XFQ0.75
HC4A2D010.75
HC4A,B,C,D,E,F,
G,H
2O7B0.75
HC4A2ZOH0.75
HC4A1GSW0.75
HC4A2QJ70.75
HC4A1F9I0.75
HC4X1UWP0.75
HC4A2PHY0.75
HC4A1T1B0.75
HC4A1F980.75
HC4A1T190.75
HC4X1UWN0.75
HC4A,B,C,D,E,F,
G,H
2O7F0.75
HC4A1UGU0.75
HC4A1TS80.75
HC4A,B1OTD0.75
HC4A1OTE0.75
HC4A1GSX0.75
HC4A1TS70.75
HC4A2PYR0.75
HC4A1S4S0.75
HC4A1GSV0.75
HC4A2I9V0.75
HC4A2QWS0.75
HC4A1XFN0.75
HC4A1S4R0.75
HC4A1T180.75
HC4A1OTA0.75
HC4A1D7E0.75
HC4A1S1Z0.75
HC4A,B,C1MZU0.75
HC4A,B1ODV0.75
HC4A,B2J3J0.75
HC4A2QJ50.75
HC4A1OTB0.75
HC4A2D020.75
HC4A1OT90.75
HC4A1NWZ0.75
HC4A1S1Y0.75
SXXSINAPINATEA,B1WB40.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.7
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.78
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.97
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.77
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.75
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.79
FDSFLUORESCINH4FAB0.72
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.75
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.84
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.84
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.82
8CM8-HYDROXYCOUMARINA2H8Z0.86
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.75
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.78
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.78
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.78
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.71
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.74
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.75
NOANAPHTHYLOXYACETIC ACIDI1IVP0.75
T4AC,D1KGI0.74
T4AA,B1Z7J0.74
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.89
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.75
AI73-(heptyloxy)benzoic acidA,B2O3Z0.77
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.84
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.76
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.8
RWFR-WARFARINA,B2BXD0.81
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.83
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.71
COUCOUMARINA3CRB0.91
COUCOUMARINA2PMJ0.91
COUCOUMARINA2H900.91
COUCOUMARINA,B,C,D1Z100.91
COUCOUMARINA2PWB0.91
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.7
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
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
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.89
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.75
G123,8-DIBROMO-7-HYDROXY-4-METHYL-
2H-CHROMEN-2-ONE
A2QC60.8