Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03310350
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 |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.82 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.76 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.7 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.7 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.74 | |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.76 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.71 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.76 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | |
XMK | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | A | 1IQM | 0.75 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.72 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.75 | |
PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.75 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.73 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.75 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.75 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.75 | |
CKI | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE- 8-SULFONAMIDE | A | 2CSN | 0.76 | |
D4G | A,B,C,D | 2FDY | 0.76 | ||
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.72 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.73 | |
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 | 0.72 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.72 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.72 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.75 | |
XMJ | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQL | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.73 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.73 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.73 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.71 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.8 | |
CK1 | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN- 2-AMINE | A | 1PXI | 0.73 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.82 |