Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02690721
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 |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.7 | |
4MD | N-(4-chlorobenzyl)-N-methylbenzene- 1,4-disulfonamide | A,B | 3DA2 | 0.7 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.74 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.72 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.74 | |
SAN | SULFANILAMIDE | A | 1AJ0 | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.74 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.79 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.7 | |
2CM | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.78 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.7 | |
I7B | 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE | A | 2POV | 0.75 | |
MB1 | 2-chloro-5-nitrobenzenesulfonamide | A | 2QP6 | 0.7 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.74 | |
SDA | 4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE | A | 1ZGE | 0.73 | |
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 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.72 | |
AMS | 3-MERCURI-4-AMINOBENZENESULFONAMIDE | A | 3CA2 | 0.71 | |
TMJ | N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2ONY | 0.73 | |
TMJ | N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2ONZ | 0.73 |