Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00106860
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 |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.71 | |
4MD | N-(4-chlorobenzyl)-N-methylbenzene- 1,4-disulfonamide | A,B | 3DA2 | 0.7 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.7 | |
21U | D-leucyl-N-(3-chlorobenzyl)-L-prolinamide | H,I | 2ZGB | 0.72 | |
2CM | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.7 | |
LY1 | 8,9-DICHLORO-2,3,4,5-TETRAHYDRO- 1H-BENZO[C]AZEPINE | A,B | 1N7I | 0.82 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.7 | |
C2B | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.76 | |
SKA | 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 1YZ3 | 0.8 | |
CBT | N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4- TETRAAZOL-5-AMINE | A | 1PZO | 0.71 | |
C2A | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.78 | |
DPK | DEPRENYL | A,B | 2BYB | 0.74 | |
SRE | (1S,4S)-4-(3,4-dichlorophenyl)- N-methyl-1,2,3,4-tetrahydronaphthalen- 1-amine | A | 3GWU | 0.75 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.71 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.8 | |
16U | N-(3-chlorobenzyl)-1-(4-methylpentanoyl)- L-prolinamide | H,I | 3DT0 | 0.72 | |
19U | 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZFP | 0.73 |