Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03264740
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 |
A8B | A | 1ODC | 0.74 | ||
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.72 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.72 | |
ISN | ISATIN | A,B | 1OJA | 0.74 | |
ISN | ISATIN | A,B | 2BK5 | 0.74 | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.7 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.72 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.7 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.73 | |
LI6 | 3,4-DIHYDROXY-1-METHYLQUINOLIN- 2(1H)-ONE | A | 1YXV | 0.7 | |
GWB | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO- 3-ISOPROPYLQUINOLIN-2(1H)-ONE | A | 1TKX | 0.7 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.73 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.71 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.72 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.72 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.84 | |
MAQ | 2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE | A | 1S38 | 0.73 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.73 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.81 | |
H16 | 6-CHLORO-4-(CYCLOHEXYLSULFANYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TKZ | 0.73 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.74 | |
H18 | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TL1 | 0.71 | |
AQO | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.73 | |
G3E | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.85 | |
IDM | INDOLINE | A,B | 3CEP | 0.74 | |
IDM | INDOLINE | A | 1AEK | 0.74 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.71 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.7 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.7 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.71 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.91 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.71 |