Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00044250
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 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.71 | |
N2M | 5-AMINO-NAPHTALENE-2-MONOSULFONATE | C,D | 1HKN | 0.75 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.74 | |
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 | |
AMS | 3-MERCURI-4-AMINOBENZENESULFONAMIDE | A | 3CA2 | 0.73 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.7 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.72 | |
AAS | 3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE | A | 1CZM | 0.71 | |
I7C | 4-AMINO-6-(TRIFLUOROMETHYL)BENZENE- 1,3-DISULFONAMIDE | A | 2POW | 0.75 | |
SAN | SULFANILAMIDE | A | 1AJ0 | 0.74 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.74 | |
AM4 | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE | A | 1TX8 | 0.74 | |
SBN | 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE | A | 1JLQ | 0.86 | |
5NS | 5-aminonaphthalene-1-sulfonic acid | A,B | 3CFT | 0.75 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.75 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.72 |