Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02852014
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 |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.73 |  |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.73 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.73 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.73 | |
U19 | 5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG5 | 0.76 | |
RJ1 | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide | A,B,C,D | 3DGA | 0.72 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.72 | |
A8B | A | 1ODC | 0.73 | | |
BRN | BERENIL | A,B | 268D | 0.71 | |
| BRN | BERENIL | A,B | 1D63 | 0.71 | |
| BRN | BERENIL | A,D,E | 2GBY | 0.71 | |
| BRN | BERENIL | A | 2DBE | 0.71 | |
| BRN | BERENIL | A | 2GVR | 0.71 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.75 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.7 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.74 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.75 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.71 | |
| BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.71 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.72 | |
| XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.72 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.71 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.73 | |
U12 | 5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG2 | 0.76 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.73 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.7 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.8 | |
| DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.8 | |
221 | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.71 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.73 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.72 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.7 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.7 | |
| CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.7 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.71 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.77 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.72 | |
IDM | INDOLINE | A,B | 3CEP | 0.77 | |
| IDM | INDOLINE | A | 1AEK | 0.77 | |