Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01071222
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 |
HM5 | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]- N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE | A | 2NQ7 | 0.72 | |
464 | 3-[5-({5-[(AMINOCARBONYL)AMINO]- 2-OXO-2H-INDOL-3-YL}METHYL)-1H- PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE | A | 2PE2 | 0.72 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.76 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.76 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.71 | |
9DG | 9-DEAZAGUANINE | A | 1IL4 | 0.71 | |
9DG | 9-DEAZAGUANINE | A,C | 1FSG | 0.71 | |
9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 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 | 0.75 | |
251 | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.7 | |
CYE | B | 1PQQ | 0.72 | ||
HP1 | IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE | A,B | 407D | 0.75 | |
AYM | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE | A,B | 1LXC | 0.7 | |
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 | 0.77 | |
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 | 0.72 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 408D | 0.76 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVY | 0.76 | |
AJI | 3-[(4-fluorophenyl)sulfanyl]-N- (4-methyl-1,3-thiazol-2-yl)-6-[(4- methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine- 2-carboxamide | X | 3A0I | 0.73 | |
IIP | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 365D | 0.76 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2C3J | 0.74 | |
DBQ | DEBROMOHYMENIALDISINE | A,B | 1U4D | 0.74 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2CN8 | 0.74 | |
DBQ | DEBROMOHYMENIALDISINE | A | 1Z57 | 0.74 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.7 | |
DMY | DISTAMYCIN A | A | 217D | 0.76 | |
DMY | DISTAMYCIN A | A | 1K2Z | 0.76 | |
DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 0.76 | |
DMY | DISTAMYCIN A | A,B | 267D | 0.76 | |
DMY | DISTAMYCIN A | A | 306D | 0.76 | |
DMY | DISTAMYCIN A | A | 304D | 0.76 | |
DMY | DISTAMYCIN A | A | 305D | 0.76 | |
DMY | DISTAMYCIN A | A | 1JUX | 0.76 | |
DMY | DISTAMYCIN A | A | 2DND | 0.76 | |
DMY | DISTAMYCIN A | A,B,C,D | 378D | 0.76 | |
DMY | DISTAMYCIN A | B | 1JTL | 0.76 | |
DMY | DISTAMYCIN A | A | 159D | 0.76 | |
DMY | DISTAMYCIN A | A | 216D | 0.76 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.74 | |
P11 | IMIDAZOLE-PYRROLE-BETA ALANINE- IMIDAZOLE-BETA ALANINE-IMIDAZOLE- PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | A | 1LEJ | 0.74 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A | 2OWB | 0.7 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A,B | 2J4Z | 0.7 | |
PB5 | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.72 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OK1 | 0.7 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJI | 0.7 | |
SPP | (1-(5-METHANSULPHONAMIDO-1H-INDOL- 2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | A | 1KLM | 0.7 | |
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 | 0.76 |