Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01227730
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 |
KS5 | 1-(1-methylethyl)-3-quinolin-6- yl-1H-pyrazolo[3,4-d]pyrimidin- 4-amine | B | 3EN6 | 0.71 |  |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.73 | |
LZL | 7-(2,5-dihydropyrrol-1-yl)-6-phenyl- pyrido[6,5-d]pyrimidin-2-amine | A,B | 2V5A | 0.7 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.79 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.72 | |
| PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.72 | |
6SC | 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3R | 0.73 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.71 | |
SB6 | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL- 5-(4-PYRIDYL)-IMIDAZOLE | A | 1BL6 | 0.74 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.77 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.74 | |
VGG | 1-tert-butyl-3-(3-methylbenzyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A | 2WEI | 0.7 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.71 | |
SCQ | 3-bromo-5-phenyl-N-(pyrimidin-5- ylmethyl)pyrazolo[1,5-a]pyridin- 7-amine | A | 2R3K | 0.7 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.73 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.74 | |
SC9 | 6-(2-fluorophenyl)-N-(pyridin-3- ylmethyl)imidazo[1,2-a]pyrazin- 8-amine | A | 2R3G | 0.72 | |
SB5 | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL- 5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE | A | 1BMK | 0.71 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.71 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.71 | |
RW1 | 4-phenylpyrimidine | A,B,C | 3B9S | 0.77 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.74 | |
C4E | N-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-amine | A,B,C,D | 3C4E | 0.7 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.7 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.73 | |
| IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.7 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.7 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.7 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.7 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.7 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.7 | |
SCJ | 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3J | 0.73 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.8 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.8 | |
SCX | N-((2-aminopyrimidin-5-yl)methyl)- 5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3M | 0.72 | |
MPI | IMIDAZO[1,2-A]PYRIDINE | A | 1AEM | 0.72 | |
GVH | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.77 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.74 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.75 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.75 | |
KS1 | 1-cyclopentyl-3-(1H-pyrrolo[2,3- b]pyridin-5-yl)-1H-pyrazolo[3,4- d]pyrimidin-4-amine | A,B | 3EN4 | 0.71 | |
SCZ | 3-cyclopropyl-5-phenyl-N-(pyridin- 3-ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3N | 0.73 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.78 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.78 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.81 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.72 | |
CQU | N-[2-(5-methyl-4H-1,2,4-triazol- 3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin- 4-amine | A | 3CQU | 0.73 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.72 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.72 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.72 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.72 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.72 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.72 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.72 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.72 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.72 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.72 | |
PP1 | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 2IVV | 0.7 | |
| PP1 | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YLAMINE | A | 1QCF | 0.7 | |
5BP | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin- 3-ylpyrimidin-2-amine | A,C | 3EJ1 | 0.75 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.74 | |
SCF | 5-(2-fluorophenyl)-N-(pyridin-4- ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3I | 0.74 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.78 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.78 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.78 | |
1BN | 1-BENZYL-1H-IMIDAZOLE | A,B | 2AFX | 0.72 | |
FYX | 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL- 3-YL)PYRIDINE-2-CARBONITRILE | A,B | 1V97 | 0.81 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.71 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.71 | |