Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03377960
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
JUG![]() | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.71 | ![]() |
OHP![]() | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.76 | ![]() |
ESO![]() | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.81 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.71 | ![]() |
ODE![]() | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.83 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.72 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.7 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.7 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.78 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.78 | ![]() |
HZ3![]() | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.79 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.74 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.76 | ![]() |
459![]() | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.75 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.77 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.77 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.77 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.77 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.77 | ![]() |
FDS![]() | FLUORESCIN | H | 4FAB | 0.71 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.8 | ![]() |
HE7![]() | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.91 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.73 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.73 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.72 | ![]() |
G24![]() | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.74 | ![]() |
HC4![]() | A | 1TS6 | 0.7 | ![]() | |
HC4![]() | A | 3PHY | 0.7 | ![]() | |
HC4![]() | A | 3PYP | 0.7 | ![]() | |
HC4![]() | A | 1T1C | 0.7 | ![]() | |
HC4![]() | A | 1OT6 | 0.7 | ![]() | |
HC4![]() | A | 1TS0 | 0.7 | ![]() | |
HC4![]() | A | 1T1A | 0.7 | ![]() | |
HC4![]() | A | 2PYP | 0.7 | ![]() | |
HC4![]() | A | 2ZOI | 0.7 | ![]() | |
HC4![]() | A | 1OTI | 0.7 | ![]() | |
HC4![]() | A | 1XFQ | 0.7 | ![]() | |
HC4![]() | A | 2D01 | 0.7 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7B | 0.7 | ![]() | |
HC4![]() | A | 2ZOH | 0.7 | ![]() | |
HC4![]() | A | 1GSW | 0.7 | ![]() | |
HC4![]() | A | 2QJ7 | 0.7 | ![]() | |
HC4![]() | A | 1F9I | 0.7 | ![]() | |
HC4![]() | X | 1UWP | 0.7 | ![]() | |
HC4![]() | A | 2PHY | 0.7 | ![]() | |
HC4![]() | A | 1T1B | 0.7 | ![]() | |
HC4![]() | A | 1F98 | 0.7 | ![]() | |
HC4![]() | A | 1T19 | 0.7 | ![]() | |
HC4![]() | X | 1UWN | 0.7 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7F | 0.7 | ![]() | |
HC4![]() | A | 1UGU | 0.7 | ![]() | |
HC4![]() | A | 1TS8 | 0.7 | ![]() | |
HC4![]() | A,B | 1OTD | 0.7 | ![]() | |
HC4![]() | A | 1OTE | 0.7 | ![]() | |
HC4![]() | A | 1GSX | 0.7 | ![]() | |
HC4![]() | A | 1TS7 | 0.7 | ![]() | |
HC4![]() | A | 2PYR | 0.7 | ![]() | |
HC4![]() | A | 1S4S | 0.7 | ![]() | |
HC4![]() | A | 1GSV | 0.7 | ![]() | |
HC4![]() | A | 2I9V | 0.7 | ![]() | |
HC4![]() | A | 2QWS | 0.7 | ![]() | |
HC4![]() | A | 1XFN | 0.7 | ![]() | |
HC4![]() | A | 1S4R | 0.7 | ![]() | |
HC4![]() | A | 1T18 | 0.7 | ![]() | |
HC4![]() | A | 1OTA | 0.7 | ![]() | |
HC4![]() | A | 1D7E | 0.7 | ![]() | |
HC4![]() | A | 1S1Z | 0.7 | ![]() | |
HC4![]() | A,B,C | 1MZU | 0.7 | ![]() | |
HC4![]() | A,B | 1ODV | 0.7 | ![]() | |
HC4![]() | A,B | 2J3J | 0.7 | ![]() | |
HC4![]() | A | 2QJ5 | 0.7 | ![]() | |
HC4![]() | A | 1OTB | 0.7 | ![]() | |
HC4![]() | A | 2D02 | 0.7 | ![]() | |
HC4![]() | A | 1OT9 | 0.7 | ![]() | |
HC4![]() | A | 1NWZ | 0.7 | ![]() | |
HC4![]() | A | 1S1Y | 0.7 | ![]() | |
BDS![]() | 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID | A,B | 1JJT | 0.75 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.73 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.73 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.73 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.73 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.73 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.73 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.78 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.82 | ![]() |
OMD![]() | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1AJP | 0.74 | ![]() |
FBR![]() | (9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one | A | 2GIU | 0.78 | ![]() |
ESM![]() | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.76 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.78 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.78 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.82 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.81 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.72 | ![]() |
E3G![]() | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.73 | ![]() |
166![]() | 6-CARBAMIMIDOYL-2-[2-HYDROXY-6- (4-HYDROXY-PHENYL)-INDAN-1-YL]- HEXANOIC ACID | B,I | 1QJ1 | 0.73 | ![]() |
ENM![]() | (5S,8R,9S,10S,13R,14S,17S)-13-{2- [(3,5-DIFLUOROBENZYL)OXY]ETHYL}- 17-HYDROXY-10-METHYLHEXADECAHYDRO- 3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | A | 2PNU | 0.74 | ![]() |
3TN![]() | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.78 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.73 | ![]() |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.72 | ![]() |
5TN![]() | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1V | 0.78 | ![]() |
2E3![]() | (2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid | A | 3FUG | 0.81 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.71 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.71 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.71 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.71 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.71 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.71 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.71 | ![]() |
PFI![]() | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.7 | ![]() |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.7 | ![]() |
I0G![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.72 | ![]() |
I0G![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.72 | ![]() |
HDI![]() | 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO- 5-ISOXAZOLE-ACETIC ACID METHYL ESTER | A,B,C | 1LJT | 0.71 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.8 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.76 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.76 | ![]() |
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,D | 2OM9 | 0.72 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.76 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.76 | ![]() |
EQI![]() | EQUILIN | A,B | 1EQU | 0.86 | ![]() |
U03![]() | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.73 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.75 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.75 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.84 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.84 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.84 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.84 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.84 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.84 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.84 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.84 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.84 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.84 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.84 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.84 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.84 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.84 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.84 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.84 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.84 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.84 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.84 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.84 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.84 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.72 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.72 | ![]() |
NCZ![]() | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.72 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.86 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.86 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.86 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.86 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.86 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.86 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.86 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.86 | ![]() |
SDN![]() | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.76 | ![]() |
ADL![]() | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.77 | ![]() |
BHQ![]() | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.71 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.76 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.76 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.71 | ![]() |
POD![]() | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)- 5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3- D][1,3]DIOXOL-6(5AH)-ONE | A,B,C,D | 1SA1 | 0.76 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.73 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.73 | ![]() |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.74 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.73 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.73 | ![]() |
BYS![]() | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.77 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.73 | ![]() |
CRH![]() | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 146D | 0.71 | ![]() |
CRH![]() | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 207D | 0.71 | ![]() |
BRZ![]() | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.7 | ![]() |
RWF![]() | R-WARFARIN | A,B | 2BXD | 0.72 | ![]() |
MUF![]() | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.79 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.73 | ![]() |
DXA![]() | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE | A,B | 1CP8 | 0.71 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.75 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.71 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.71 | ![]() |
SDT![]() | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.8 | ![]() |
DBE![]() | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.72 | ![]() |
689![]() | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.74 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.76 | ![]() |
HXP![]() | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.74 | ![]() |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.7 | ![]() |
DXB![]() | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE | A,B | 1BP8 | 0.71 | ![]() |
OX3![]() | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOH | 0.72 | ![]() |
T3O![]() | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.73 | ![]() |
OX4![]() | 3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOW | 0.71 | ![]() |
MPB![]() | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.71 | ![]() |
MPB![]() | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.71 | ![]() |
DRQ![]() | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.82 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.76 | ![]() |
AOE![]() | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.78 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.75 | ![]() | |
ECO![]() | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | B,D,F,H | 1JNH | 0.78 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.83 | ![]() |
SWF![]() | S-WARFARIN | A,B | 1OG5 | 0.72 | ![]() |
AI7![]() | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.73 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.7 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.7 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.7 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B,C,D | 1VAQ | 0.7 | ![]() |
L79![]() | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.75 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.76 | ![]() |
167![]() | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5- (3-METHOXY-PHENYL)-INDAN-1-YL]- HEXANOIC ACID | B,I | 1QJ6 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIT | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ1 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIU | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PKL | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 3D57 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ2 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2QPY | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ0 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NUO | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 2PIN | 0.7 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H | 2BFV | 0.72 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H,L | 1BFV | 0.72 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.81 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.71 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.72 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.7 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.71 | ![]() |
3HP![]() | 3-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCE | 0.75 | ![]() |
OAL![]() | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.76 | ![]() |
NPS![]() | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.78 | ![]() |
OAC![]() | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.76 | ![]() |
DC8![]() | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Q70 | 0.7 | ![]() |
DC8![]() | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Z4B | 0.7 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.74 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.74 | ![]() |
HHH![]() | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.73 | ![]() |
JJ3![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.71 | ![]() |
JJ3![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.71 | ![]() |
458![]() | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.72 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1ME7 | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEI | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEH | 0.71 | ![]() |
789![]() | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.74 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.71 | ![]() |
OEF![]() | 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID | A | 2J4A | 0.72 | ![]() |
EZT![]() | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.79 | ![]() |
NOM![]() | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.75 | ![]() |
4TN![]() | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.79 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.76 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.76 | ![]() |