Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00817820
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 |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.72 | |
IDM | INDOLINE | A,B | 3CEP | 0.71 | |
IDM | INDOLINE | A | 1AEK | 0.71 | |
A8B | A | 1ODC | 0.72 | ||
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.71 | |
NPP | N-(2-AMINO-ETHYL)-4,6-DINITRO-N'- (2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN- 4-YL)-BENZENE-1,3-DIAMINE | L | 1BAF | 0.8 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.83 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.76 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.71 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.72 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.7 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.7 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.7 | |
DAE | O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE- BERYLLIUM TRIFLUORIDE | A | 1D1A | 0.7 | |
DAQ | O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1B | 0.71 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.79 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.76 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.76 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.7 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.7 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.7 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.7 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.7 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.7 | |
3CZ | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.78 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.76 |