Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02857037
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 |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.7 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.73 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.74 | |
A8B | A | 1ODC | 0.73 | ||
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.71 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.71 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.71 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.79 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.79 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.71 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.75 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.75 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.71 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.84 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.81 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.81 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.81 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.73 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.76 |