Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02149028
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 |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.71 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.84 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 1Q8U | 0.79 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A,B | 3D9V | 0.79 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNH | 0.79 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNL | 0.79 | |
THA | TACRINE | A,B | 2AOW | 0.71 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.71 | |
THA | TACRINE | A,B | 2AOX | 0.71 | |
THA | TACRINE | A | 1ACJ | 0.71 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.77 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2ESM | 0.83 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2F2U | 0.83 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 2GNI | 0.83 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 1Q8W | 0.83 | |
CM6 | (2S)-2-[(2,1,3-BENZOTHIADIAZOL- 4-YLSULFONYL)AMINO]-2-PHENYL-N- PYRIDIN-4-YLACETAMIDE | A | 2CIB | 0.71 | |
CMW | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.72 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.84 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.73 | |
255 | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.74 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.78 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.78 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.78 | |
PIU | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.78 | |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.84 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.82 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.7 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | E | 2ERZ | 0.72 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | A,B | 2ETK | 0.72 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.77 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.72 | |
IQB | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | E | 1YDT | 0.77 | |
IQB | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | A | 3FMD | 0.77 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.75 | |
CKI | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE- 8-SULFONAMIDE | A | 2CSN | 0.76 | |
XMK | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | A | 1IQM | 0.7 | |
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.7 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.75 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.72 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.7 |