Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00469792
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 |
CF3![]() | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.74 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.72 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.72 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.73 | ![]() |
HFT![]() | HYDROXYFLUTAMIDE | A | 2AX6 | 0.72 | ![]() |
LI6![]() | 3,4-DIHYDROXY-1-METHYLQUINOLIN- 2(1H)-ONE | A | 1YXV | 0.73 | ![]() |
PYQ![]() | PYROQUILON | A | 1JA9 | 0.72 | ![]() |
PYQ![]() | PYROQUILON | A,B,C,D | 1G0O | 0.72 | ![]() |
NAF![]() | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.7 | ![]() |
NAF![]() | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.7 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.72 | ![]() |
IS2![]() | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.73 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.89 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.7 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.7 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.7 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.7 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | ![]() |
TC8![]() | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin- 4(3H)-one | A | 3G3N | 0.73 | ![]() |
OCH![]() | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.85 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.73 | ![]() |
LGD![]() | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.87 | ![]() |
SN8![]() | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.7 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.7 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.7 | ![]() |
A26![]() | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1TV5 | 0.71 | ![]() |
A26![]() | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1D3H | 0.71 | ![]() |
AFF![]() | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.77 | ![]() |
G3E![]() | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.78 | ![]() |
G1L![]() | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.8 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.71 | ![]() |