Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02250801
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 |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.72 | |
665 | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 0.71 | |
A51 | (3E)-3-[(phenylamino)methylidene]dihydrofuran- 2(3H)-one | A | 2QFO | 0.7 | |
445 | N-[oxo(phenylamino)acetyl]-beta- D-glucopyranosylamine | A | 3CUW | 0.71 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.74 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.7 | |
ANL | ANILINE | A | 2OV4 | 0.73 | |
ANL | ANILINE | A | 1AEE | 0.73 | |
ANL | ANILINE | A | 1PPA | 0.73 | |
ANL | ANILINE | A | 1HJ9 | 0.73 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.82 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.74 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.75 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.71 | |
4ND | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.71 | |
221 | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.71 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.86 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.77 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.77 | |
BL5 | A,B | 1RL4 | 0.74 | ||
01W | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.72 |