Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005432
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 |
3HP | 3-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCE | 0.71 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.78 | |
3BZ | 3-chlorobenzoate | X | 2QVX | 0.78 | |
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.78 | |
174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.78 | |
2PB | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE | A | 1SDE | 0.73 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.75 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.75 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.75 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.75 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.75 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.74 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.74 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.71 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.71 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.71 | |
184 | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.71 | |
34D | 3,5-DIHYDROXYBENZOATE | A,B | 2BX7 | 0.71 | |
34Z | 3,4-dichlorobenzoate | X | 2QVY | 0.75 | |
34Z | 3,4-dichlorobenzoate | X | 2QW0 | 0.75 | |
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.76 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.76 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.84 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.76 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.82 | |
26C | A,B | 2F7I | 0.86 | ||
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.7 | |
295 | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.73 | |
4FC | A | 1YSG | 0.85 | ||
4CB | 4-CARBOXYPHENYLBORONIC ACID | A,B | 1KDW | 0.86 |