Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03296248
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 |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.73 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.73 | |
287 | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}- 5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG6 | 0.72 | |
HDU | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.75 | |
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 | |
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 | 0.75 | |
DMY | DISTAMYCIN A | A | 217D | 0.77 | |
DMY | DISTAMYCIN A | A | 1K2Z | 0.77 | |
DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 0.77 | |
DMY | DISTAMYCIN A | A,B | 267D | 0.77 | |
DMY | DISTAMYCIN A | A | 306D | 0.77 | |
DMY | DISTAMYCIN A | A | 304D | 0.77 | |
DMY | DISTAMYCIN A | A | 305D | 0.77 | |
DMY | DISTAMYCIN A | A | 1JUX | 0.77 | |
DMY | DISTAMYCIN A | A | 2DND | 0.77 | |
DMY | DISTAMYCIN A | A,B,C,D | 378D | 0.77 | |
DMY | DISTAMYCIN A | B | 1JTL | 0.77 | |
DMY | DISTAMYCIN A | A | 159D | 0.77 | |
DMY | DISTAMYCIN A | A | 216D | 0.77 | |
517 | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.71 | |
F10 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.72 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.82 | |
CYE | B | 1PQQ | 0.72 | ||
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 | 0.7 | |
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 | 0.7 | |
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 | |
34Q | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.75 | |
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 | |
HM4 | TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN- 3-YL}CARBAMATE | A | 2NQ6 | 0.72 | |
279 | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.74 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.85 | |
9DG | 9-DEAZAGUANINE | A | 1IL4 | 0.85 | |
9DG | 9-DEAZAGUANINE | A,C | 1FSG | 0.85 | |
9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 0.85 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.72 |