Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03081879
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 |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 408D | 0.8 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVY | 0.8 | |
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 | 0.73 | |
HP1 | IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE | A,B | 407D | 0.77 | |
CYE | B | 1PQQ | 0.77 | ||
DMY | DISTAMYCIN A | A | 217D | 0.73 | |
DMY | DISTAMYCIN A | A | 1K2Z | 0.73 | |
DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 0.73 | |
DMY | DISTAMYCIN A | A,B | 267D | 0.73 | |
DMY | DISTAMYCIN A | A | 306D | 0.73 | |
DMY | DISTAMYCIN A | A | 304D | 0.73 | |
DMY | DISTAMYCIN A | A | 305D | 0.73 | |
DMY | DISTAMYCIN A | A | 1JUX | 0.73 | |
DMY | DISTAMYCIN A | A | 2DND | 0.73 | |
DMY | DISTAMYCIN A | A,B,C,D | 378D | 0.73 | |
DMY | DISTAMYCIN A | B | 1JTL | 0.73 | |
DMY | DISTAMYCIN A | A | 159D | 0.73 | |
DMY | DISTAMYCIN A | A | 216D | 0.73 | |
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 | 0.72 | |
SPP | (1-(5-METHANSULPHONAMIDO-1H-INDOL- 2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | A | 1KLM | 0.71 | |
3BA | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.71 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.78 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.78 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2C3J | 0.73 | |
DBQ | DEBROMOHYMENIALDISINE | A,B | 1U4D | 0.73 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2CN8 | 0.73 | |
DBQ | DEBROMOHYMENIALDISINE | A | 1Z57 | 0.73 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.7 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.7 | |
IIP | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 365D | 0.8 | |
HBN | N-(2-NAPHTHYL)HISTIDINAMIDE | B | 1VEA | 0.72 | |
P11 | IMIDAZOLE-PYRROLE-BETA ALANINE- IMIDAZOLE-BETA ALANINE-IMIDAZOLE- PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | A | 1LEJ | 0.78 | |
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 | |
553 | (7S)-2-(2-aminopyrimidin-4-yl)- 7-(2-fluoroethyl)-1,5,6,7-tetrahydro- 4H-pyrrolo[3,2-c]pyridin-4-one | A,B | 3DU8 | 0.71 | |
PB5 | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.7 | |
HP2 | HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVX | 0.71 | |
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 | 0.71 |