Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03539693
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 |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.78 |  |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.74 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.74 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.72 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.7 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.71 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.71 | |
L23 | 4-[1-(2,6-dichlorobenzyl)-2-methyl- 1H-imidazol-4-yl]pyrimidin-2-amine | A,C | 2W71 | 0.72 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.72 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.72 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.72 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.72 | |
XMK | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | A | 1IQM | 0.73 | |
CK1 | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN- 2-AMINE | A | 1PXI | 0.72 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.75 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.77 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.72 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.72 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.72 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.81 | |
| IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.81 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.71 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.7 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.7 | |
U73 | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.73 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 1 | |
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 | 0.77 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.77 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.77 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.73 | |