Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03142329
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 | |
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 | 0.74 | |
3BA | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.72 | |
HP1 | IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE | A,B | 407D | 0.72 | |
IIP | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 365D | 0.72 | |
C8C | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin- 4(3H)-one | A | 2VA5 | 0.7 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.73 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.73 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.73 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.73 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.73 | |
DMY | DISTAMYCIN A | A | 217D | 0.74 | |
DMY | DISTAMYCIN A | A | 1K2Z | 0.74 | |
DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 0.74 | |
DMY | DISTAMYCIN A | A,B | 267D | 0.74 | |
DMY | DISTAMYCIN A | A | 306D | 0.74 | |
DMY | DISTAMYCIN A | A | 304D | 0.74 | |
DMY | DISTAMYCIN A | A | 305D | 0.74 | |
DMY | DISTAMYCIN A | A | 1JUX | 0.74 | |
DMY | DISTAMYCIN A | A | 2DND | 0.74 | |
DMY | DISTAMYCIN A | A,B,C,D | 378D | 0.74 | |
DMY | DISTAMYCIN A | B | 1JTL | 0.74 | |
DMY | DISTAMYCIN A | A | 159D | 0.74 | |
DMY | DISTAMYCIN A | A | 216D | 0.74 | |
F10 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.71 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 1 | |
517 | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.7 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.97 | |
9DG | 9-DEAZAGUANINE | A | 1IL4 | 0.97 | |
9DG | 9-DEAZAGUANINE | A,C | 1FSG | 0.97 | |
9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 0.97 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2C3J | 0.77 | |
DBQ | DEBROMOHYMENIALDISINE | A,B | 1U4D | 0.77 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2CN8 | 0.77 | |
DBQ | DEBROMOHYMENIALDISINE | A | 1Z57 | 0.77 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.71 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.71 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.71 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.71 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.71 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.71 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.71 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.71 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.71 | |
DX6 | 2-amino-5-(2-phenylethyl)-3,7-dihydro- 4H-pyrrolo[2,3-d]pyrimidin-4-one | A,B,C,D | 3BMH | 0.71 | |
34Q | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.7 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 408D | 0.72 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVY | 0.72 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.85 | |
P11 | IMIDAZOLE-PYRROLE-BETA ALANINE- IMIDAZOLE-BETA ALANINE-IMIDAZOLE- PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | A | 1LEJ | 0.7 | |
PB5 | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.7 | |
344 | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5- G]QUINAZOLIN-8-ONE | A | 2BBF | 0.7 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.75 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.75 |