Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02518385
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 |
EGC | 2-(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,B | 1JP3 | 0.74 | |
EGC | 2-(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 | 2W22 | 0.74 | |
ECO | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | B,D,F,H | 1JNH | 0.79 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.74 | |
M07 | (5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)- 3-(4-METHOXYPHENYL)-1,6-DIOXA-2- AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL | A | 2QRG | 0.76 | |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.75 | |
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.74 | |
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 | 0.76 | |
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 | 0.7 | |
ESL | ESTRIOL | A | 1X8V | 0.76 | |
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 | 0.7 | |
BYS | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 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 | |
ECS | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.76 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.74 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.74 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.76 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.72 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.72 | |
EQI | EQUILIN | A,B | 1EQU | 0.7 | |
EZT | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.7 | |
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 | 0.71 | |
PO1 | (9BETA,13ALPHA,14BETA,17ALPHA)- 2-METHOXYESTRA-1,3,5(10)-TRIENE- 3,17-DIYL DISULFAMATE | A | 2GD8 | 0.81 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.7 | |
MOI | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A- HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2- E]ISOQUINOLINE-7,9-DIOL | H,L | 1Q0Y | 0.7 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.74 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.74 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.74 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.74 | |
MAX | MATAIRESINOL | A | 2BGM | 0.72 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.7 | |
EST | ESTRADIOL | A,B | 1GWR | 0.76 | |
EST | ESTRADIOL | A | 1FDS | 0.76 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.76 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.76 | |
EST | ESTRADIOL | A,B | 1A52 | 0.76 | |
EST | ESTRADIOL | A | 1FDT | 0.76 | |
EST | ESTRADIOL | A | 2OCF | 0.76 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.76 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.76 | |
EST | ESTRADIOL | A | 1IOL | 0.76 | |
EST | ESTRADIOL | H | 1JNN | 0.76 | |
EST | ESTRADIOL | B | 1QKT | 0.76 | |
EST | ESTRADIOL | A | 1FDW | 0.76 | |
EST | ESTRADIOL | A,B | 1AQU | 0.76 | |
EST | ESTRADIOL | A | 1LHU | 0.76 | |
EST | ESTRADIOL | A | 1A27 | 0.76 | |
EST | ESTRADIOL | L | 1JGL | 0.76 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.76 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.76 | |
EST | ESTRADIOL | A | 2J7X | 0.76 | |
EST | ESTRADIOL | A,B | 2D06 | 0.76 | |
CTF | (17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate | A | 3BET | 0.78 | |
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.76 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.72 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.72 | |
HE7 | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.71 | |
RNP | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1- NAPHTHYLOXY)PROPAN-2-OL | X | 1H46 | 0.71 | |
ESM | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.84 | |
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 | 0.71 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.74 | |
3A3 | A | 2CGU | 0.77 | ||
CIO | CILOMILAST | A,B | 1XOM | 0.76 | |
CIO | CILOMILAST | A,B | 1XLX | 0.76 |