Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02458377
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 |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.71 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.7 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.7 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.72 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.74 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.74 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.74 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.7 | |
501 | N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)- 5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE- 2,7-DIAMINE | A,B | 1ZGV | 0.7 | |
AGB | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.7 | |
7IG | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2IKO | 0.72 | |
7IG | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2G24 | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.73 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.8 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.8 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.73 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.72 | |
A8B | A | 1ODC | 0.76 | ||
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.72 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.75 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.71 |