Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02414962
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 |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 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 | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.77 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.77 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.77 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.77 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.77 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.77 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.77 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.77 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.77 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.77 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.77 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.77 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.77 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.77 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.77 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.77 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.77 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.77 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.77 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.77 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.77 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.74 | ![]() |
C3D![]() | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.76 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.73 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.73 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.73 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.73 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.73 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.73 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.73 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.73 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.73 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.73 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | ![]() |
EQI![]() | EQUILIN | A,B | 1EQU | 0.72 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.7 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.7 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.7 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.75 | ![]() |
EZT![]() | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.8 | ![]() |
BM4![]() | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.75 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.75 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.73 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.78 | ![]() |
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 | ![]() |
3QC![]() | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.75 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.73 | ![]() |