Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03377924
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 |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.85 | |
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.85 | |
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 | 0.73 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.7 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.72 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.73 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.7 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.7 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.7 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.7 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.7 | |
HE7 | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.78 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.8 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.75 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.75 | |
43M | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 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 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.75 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.78 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.78 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.72 | |
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 | 0.72 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.85 | |
ECS | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.85 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.73 | |
ESL | ESTRIOL | A | 1X8V | 0.85 | |
ESO | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.72 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.74 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.74 | |
JPN | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.7 | |
ESM | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.78 | |
NE2 | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.76 | |
EST | ESTRADIOL | A,B | 1GWR | 0.88 | |
EST | ESTRADIOL | A | 1FDS | 0.88 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.88 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.88 | |
EST | ESTRADIOL | A,B | 1A52 | 0.88 | |
EST | ESTRADIOL | A | 1FDT | 0.88 | |
EST | ESTRADIOL | A | 2OCF | 0.88 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.88 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.88 | |
EST | ESTRADIOL | A | 1IOL | 0.88 | |
EST | ESTRADIOL | H | 1JNN | 0.88 | |
EST | ESTRADIOL | B | 1QKT | 0.88 | |
EST | ESTRADIOL | A | 1FDW | 0.88 | |
EST | ESTRADIOL | A,B | 1AQU | 0.88 | |
EST | ESTRADIOL | A | 1LHU | 0.88 | |
EST | ESTRADIOL | A | 1A27 | 0.88 | |
EST | ESTRADIOL | L | 1JGL | 0.88 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.88 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.88 | |
EST | ESTRADIOL | A | 2J7X | 0.88 | |
EST | ESTRADIOL | A,B | 2D06 | 0.88 | |
4NA | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.82 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.7 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.7 | |
SDT | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.71 | |
ECO | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | B,D,F,H | 1JNH | 0.74 | |
NE1 | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.75 | |
EQI | EQUILIN | A,B | 1EQU | 0.76 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.71 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.74 | |
EQU | EQUILENIN | A,B | 1OGX | 0.76 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.76 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.76 | |
EQU | EQUILENIN | A | 1W6Y | 0.76 | |
EQU | EQUILENIN | A,B | 1CQS | 0.76 | |
EQU | EQUILENIN | A | 1OGZ | 0.76 | |
EQU | EQUILENIN | A | 1GS3 | 0.76 | |
EQU | EQUILENIN | A | 1OHO | 0.76 | |
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 | 0.72 | |
PO1 | (9BETA,13ALPHA,14BETA,17ALPHA)- 2-METHOXYESTRA-1,3,5(10)-TRIENE- 3,17-DIYL DISULFAMATE | A | 2GD8 | 0.7 | |
EZT | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.79 |