Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02444955
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 |
CNQ | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.78 |  |
770 | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO- 1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL- 9-YL]FORMAMIDE | A | 2Z2W | 0.71 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.85 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.85 | |
| QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.85 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.85 | |
| QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.85 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.85 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B,C,D | 3BWL | 0.71 | |
| I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B | 2OU3 | 0.71 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.72 | |
| 9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.72 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.71 | |
PRL | PROFLAVIN | H,I | 1BCU | 0.72 | |
| PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.72 | |
| PRL | PROFLAVIN | A,B | 2KD4 | 0.72 | |
| PRL | PROFLAVIN | A | 1QVU | 0.72 | |
BRF | A | 1UUO | 0.72 | | |
MB9 | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9- tetrahydrospiro[beta-carboline- 3,4'-piperidine]-4-carbonitrile | A | 3CY2 | 0.71 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.71 | |
| 14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.71 | |
DK1 | 5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID | A,B | 1PBQ | 0.71 | |
8ST | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.72 | |
238 | A | 2PRH | 0.77 | | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.73 | |
THA | TACRINE | A,B | 2AOW | 0.73 | |
| THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.73 | |
| THA | TACRINE | A,B | 2AOX | 0.73 | |
| THA | TACRINE | A | 1ACJ | 0.73 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.72 | |
IQZ | (12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3- a]quinolizin-7(6H)-one | A | 1S1J | 0.71 | |
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.7 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.91 | |
TTR | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H- CARBAZOL-1-ONE | A | 2D82 | 0.72 | |
HUX | 3-CHLORO-9-ETHYL-6,7,8,9,10,11- HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN- 12-AMINE | A | 1E66 | 0.77 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.73 | |
| 8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.73 | |