Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02159806
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 |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.75 | ![]() |
GVH![]() | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.76 | ![]() |
M03![]() | 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-yl]methanamine | A,I | 2VO0 | 0.74 | ![]() |
M05![]() | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-aminium | A | 2VO7 | 0.75 | ![]() |
M05![]() | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-aminium | A | 2VO6 | 0.75 | ![]() |
IM4![]() | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.78 | ![]() |
IM4![]() | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.78 | ![]() |
JI3![]() | N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN- 2-YL)METHYL]PYRROLIDIN-3-YL}-N'- (4-CHLOROBENZYL)ETHANE-1,2-DIAMINE | A,B | 3B3O | 0.7 | ![]() |
JI3![]() | N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN- 2-YL)METHYL]PYRROLIDIN-3-YL}-N'- (4-CHLOROBENZYL)ETHANE-1,2-DIAMINE | A,B | 3DQS | 0.7 | ![]() |
MPI![]() | IMIDAZO[1,2-A]PYRIDINE | A | 1AEM | 0.71 | ![]() |
C4C![]() | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.79 | ![]() |
SC8![]() | 5-(2,3-dichlorophenyl)-N-(pyridin- 4-ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3F | 0.7 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.76 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.76 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | ![]() |
C4E![]() | N-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-amine | A,B,C,D | 3C4E | 0.72 | ![]() |
HM2![]() | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.75 | ![]() |
LG4![]() | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.78 | ![]() |
WAI![]() | 4-{2-[4-(2-AMINOETHYL)PIPERAZIN- 1-YL]PYRIDIN-4-YL}-N-(3-CHLORO- 4-METHYLPHENYL)PYRIMIDIN-2-AMINE | A | 1Y2F | 0.73 | ![]() |
JI7![]() | N-{(3R,4S)-4-[(6-amino-4-methylpyridin- 2-yl)methyl]pyrrolidin-3-yl}-N'- (3-chlorobenzyl)ethane-1,2-diamine | A,B | 3B3P | 0.7 | ![]() |
JI7![]() | N-{(3R,4S)-4-[(6-amino-4-methylpyridin- 2-yl)methyl]pyrrolidin-3-yl}-N'- (3-chlorobenzyl)ethane-1,2-diamine | A,B | 3DQT | 0.7 | ![]() |
EPJ![]() | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.71 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.74 | ![]() |
L17![]() | L17 | A,B | 1Z71 | 0.73 | ![]() |
M04![]() | 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-yl]methanamine | A | 2VO3 | 0.75 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.72 | ![]() |
TH4![]() | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.73 | ![]() |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.71 | ![]() |
CBQ![]() | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1S | 0.79 | ![]() |
A11![]() | ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E6L | 0.73 | ![]() |
245![]() | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.73 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.72 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.79 | ![]() |
L23![]() | 4-[1-(2,6-dichlorobenzyl)-2-methyl- 1H-imidazol-4-yl]pyrimidin-2-amine | A,C | 2W71 | 0.71 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.71 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.71 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.71 | ![]() |
1BY![]() | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.72 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.7 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.7 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.7 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.7 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.7 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.7 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.7 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.7 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.7 | ![]() |
PIM![]() | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.7 | ![]() |
CPZ![]() | 4-(4-CHLOROPHENYL)IMIDAZOLE | A | 1SUO | 0.75 | ![]() |