Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01972498
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 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.71 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.81 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.85 | |
HM2 | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.72 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.81 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.8 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.71 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.73 | |
928 | 5-amino-1-(4-chlorophenyl)-1H-pyrazole- 4-carbonitrile | A | 3EJ2 | 0.7 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.77 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.77 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.74 | |
A11 | ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E6L | 0.76 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.86 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.85 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.73 | |
IMB | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1R | 0.7 | |
WAI | 4-{2-[4-(2-AMINOETHYL)PIPERAZIN- 1-YL]PYRIDIN-4-YL}-N-(3-CHLORO- 4-METHYLPHENYL)PYRIMIDIN-2-AMINE | A | 1Y2F | 0.71 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.76 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.74 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.82 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.85 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.85 | |
CBQ | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1S | 0.87 | |
1CI | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE | A,B,C,D,E,F,G | 2Q6N | 0.74 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.74 | |
PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.74 | |
GVH | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.72 | |
LZ4 | 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide | A | 2VTJ | 0.71 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.76 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.76 | |
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 | 0.71 | |
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 | 0.71 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.75 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.7 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.7 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.7 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.73 | |
1BY | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.78 | |
L23 | 4-[1-(2,6-dichlorobenzyl)-2-methyl- 1H-imidazol-4-yl]pyrimidin-2-amine | A,C | 2W71 | 0.71 | |
D4G | A,B,C,D | 2FDY | 0.71 | ||
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | |
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 | 0.71 | |
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 | 0.71 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.74 | |
MPI | IMIDAZO[1,2-A]PYRIDINE | A | 1AEM | 0.73 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.78 |