Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03921758
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 |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.72 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.72 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.72 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.72 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.72 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.72 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.72 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.72 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.72 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.72 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.72 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.72 | ![]() |
DM5![]() | IDARUBICIN | A,B,D | 198D | 0.71 | ![]() |
DM5![]() | IDARUBICIN | A | 1D38 | 0.71 | ![]() |
DM5![]() | IDARUBICIN | A | 1D67 | 0.71 | ![]() |
DZN![]() | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.71 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.74 | ![]() |
7CA![]() | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.74 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.71 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.73 | ![]() |
E3G![]() | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.91 | ![]() |
DM4![]() | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 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 | 0.7 | ![]() |
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 | ![]() |
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 | ![]() |
AKY![]() | A,B,C,D | 2IPI | 0.72 | ![]() | |
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 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.74 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.74 | ![]() |
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 | ![]() |
CA2![]() | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2BT4 | 0.72 | ![]() |
DM3![]() | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.7 | ![]() |
ECO![]() | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | B,D,F,H | 1JNH | 0.73 | ![]() |