Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02381472
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 |
CYE | B | 1PQQ | 0.84 |  | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1XWS | 0.7 | |
| BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIK | 0.7 | |
| BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1ZRZ | 0.7 | |
| BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIL | 0.7 | |
| BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UU8 | 0.7 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A,B | 2VD5 | 0.72 | |
| BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UVR | 0.72 | |
DMY | DISTAMYCIN A | A | 217D | 1 | |
| DMY | DISTAMYCIN A | A | 1K2Z | 1 | |
| DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 1 | |
| DMY | DISTAMYCIN A | A,B | 267D | 1 | |
| DMY | DISTAMYCIN A | A | 306D | 1 | |
| DMY | DISTAMYCIN A | A | 304D | 1 | |
| DMY | DISTAMYCIN A | A | 305D | 1 | |
| DMY | DISTAMYCIN A | A | 1JUX | 1 | |
| DMY | DISTAMYCIN A | A | 2DND | 1 | |
| DMY | DISTAMYCIN A | A,B,C,D | 378D | 1 | |
| DMY | DISTAMYCIN A | B | 1JTL | 1 | |
| DMY | DISTAMYCIN A | A | 159D | 1 | |
| DMY | DISTAMYCIN A | A | 216D | 1 | |
HP2 | HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVX | 0.77 | |
IIP | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 365D | 0.85 | |
CMI | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE | B | 1LQD | 0.7 | |
HP1 | IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE | A,B | 407D | 0.84 | |
BI2 | 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)- 1-METHYLPYRROLIDINYL]ETHYL}-1H- INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | A | 1UU7 | 0.71 | |
34Q | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.74 | |
BI4 | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN- 2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE- 2,5-DIONE | A,B | 1SZM | 0.71 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.74 | |
163 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1O0D | 0.79 | |
162 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1NZQ | 0.79 | |
I19 | N-(4-{[(3S)-3-(dimethylamino)pyrrolidin- 1-yl]carbonyl}phenyl)-5-fluoro- 4-[2-methyl-1-(1-methylethyl)-1H- imidazol-5-yl]pyrimidin-2-amine | A | 2W17 | 0.71 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.73 | |
| 9DG | 9-DEAZAGUANINE | A | 1IL4 | 0.73 | |
| 9DG | 9-DEAZAGUANINE | A,C | 1FSG | 0.73 | |
| 9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 0.73 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.72 | |
AIK | N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4- ({[4-(FORMYLAMINO)-1-METHYL-1H- PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL- 1H-PYRROL-2-YL]CARBONYL}AMINO)- 5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE | A,B | 1RMX | 0.81 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2C3J | 0.7 | |
| DBQ | DEBROMOHYMENIALDISINE | A,B | 1U4D | 0.7 | |
| DBQ | DEBROMOHYMENIALDISINE | A | 2CN8 | 0.7 | |
| DBQ | DEBROMOHYMENIALDISINE | A | 1Z57 | 0.7 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.85 | |
| ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.85 | |