Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03401123
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 |
OHP![]() | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.71 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.74 | ![]() |
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 | 0.73 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.71 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.73 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.72 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.72 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.72 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.72 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.72 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.7 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.7 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.7 | ![]() |
TOH![]() | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.7 | ![]() |
TOH![]() | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.7 | ![]() |
OAC![]() | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.73 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.74 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.74 | ![]() |
HE7![]() | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.74 | ![]() |
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 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.7 | ![]() |
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 | 0.76 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.71 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.78 | ![]() |
G24![]() | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.7 | ![]() |
4TN![]() | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.72 | ![]() |
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 | 0.72 | ![]() |
DRQ![]() | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.72 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.73 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.73 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.7 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.74 | ![]() |
T3O![]() | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.71 | ![]() |
178![]() | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.77 | ![]() |
HC4![]() | A | 1TS6 | 0.73 | ![]() | |
HC4![]() | A | 3PHY | 0.73 | ![]() | |
HC4![]() | A | 3PYP | 0.73 | ![]() | |
HC4![]() | A | 1T1C | 0.73 | ![]() | |
HC4![]() | A | 1OT6 | 0.73 | ![]() | |
HC4![]() | A | 1TS0 | 0.73 | ![]() | |
HC4![]() | A | 1T1A | 0.73 | ![]() | |
HC4![]() | A | 2PYP | 0.73 | ![]() | |
HC4![]() | A | 2ZOI | 0.73 | ![]() | |
HC4![]() | A | 1OTI | 0.73 | ![]() | |
HC4![]() | A | 1XFQ | 0.73 | ![]() | |
HC4![]() | A | 2D01 | 0.73 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7B | 0.73 | ![]() | |
HC4![]() | A | 2ZOH | 0.73 | ![]() | |
HC4![]() | A | 1GSW | 0.73 | ![]() | |
HC4![]() | A | 2QJ7 | 0.73 | ![]() | |
HC4![]() | A | 1F9I | 0.73 | ![]() | |
HC4![]() | X | 1UWP | 0.73 | ![]() | |
HC4![]() | A | 2PHY | 0.73 | ![]() | |
HC4![]() | A | 1T1B | 0.73 | ![]() | |
HC4![]() | A | 1F98 | 0.73 | ![]() | |
HC4![]() | A | 1T19 | 0.73 | ![]() | |
HC4![]() | X | 1UWN | 0.73 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7F | 0.73 | ![]() | |
HC4![]() | A | 1UGU | 0.73 | ![]() | |
HC4![]() | A | 1TS8 | 0.73 | ![]() | |
HC4![]() | A,B | 1OTD | 0.73 | ![]() | |
HC4![]() | A | 1OTE | 0.73 | ![]() | |
HC4![]() | A | 1GSX | 0.73 | ![]() | |
HC4![]() | A | 1TS7 | 0.73 | ![]() | |
HC4![]() | A | 2PYR | 0.73 | ![]() | |
HC4![]() | A | 1S4S | 0.73 | ![]() | |
HC4![]() | A | 1GSV | 0.73 | ![]() | |
HC4![]() | A | 2I9V | 0.73 | ![]() | |
HC4![]() | A | 2QWS | 0.73 | ![]() | |
HC4![]() | A | 1XFN | 0.73 | ![]() | |
HC4![]() | A | 1S4R | 0.73 | ![]() | |
HC4![]() | A | 1T18 | 0.73 | ![]() | |
HC4![]() | A | 1OTA | 0.73 | ![]() | |
HC4![]() | A | 1D7E | 0.73 | ![]() | |
HC4![]() | A | 1S1Z | 0.73 | ![]() | |
HC4![]() | A,B,C | 1MZU | 0.73 | ![]() | |
HC4![]() | A,B | 1ODV | 0.73 | ![]() | |
HC4![]() | A,B | 2J3J | 0.73 | ![]() | |
HC4![]() | A | 2QJ5 | 0.73 | ![]() | |
HC4![]() | A | 1OTB | 0.73 | ![]() | |
HC4![]() | A | 2D02 | 0.73 | ![]() | |
HC4![]() | A | 1OT9 | 0.73 | ![]() | |
HC4![]() | A | 1NWZ | 0.73 | ![]() | |
HC4![]() | A | 1S1Y | 0.73 | ![]() | |
8PP![]() | 2-[(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,D | 1Y0G | 0.74 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.73 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.75 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.75 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.78 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.78 | ![]() |
BHQ![]() | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.71 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.71 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.71 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.71 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.71 | ![]() |
2HC![]() | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.73 | ![]() |
YR3![]() | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.7 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.74 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.7 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.7 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.7 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.74 | ![]() |
DBA![]() | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.7 | ![]() |
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 | 0.71 | ![]() |
SN1![]() | 2,4-DIHYDROXY-TRANS CINNAMIC ACID | 1 | 1K2I | 0.7 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.75 | ![]() |
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 | 0.72 | ![]() |
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 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.77 | ![]() |