Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01938741
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 |
BC1 | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID | H,Y | 1LO0 | 0.71 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.72 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.7 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.74 | |
TNS | A,B,L | 2G2R | 0.8 | ||
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.71 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.78 | |
AAH | H | 1KEL | 0.75 | ||
AAH | B,H | 1FL6 | 0.75 | ||
C47 | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.77 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.72 | |
HAZ | 4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO- 1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN- 4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}- BUTYRIC ACID | H,L | 1CF8 | 0.71 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.7 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.7 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.75 |