Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02170128
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 |
NP2![]() | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.85 | ![]() |
BAN![]() | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.77 | ![]() |
DOF![]() | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.71 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.89 | ![]() |
A8B![]() | A | 1ODC | 0.75 | ![]() | |
IDM![]() | INDOLINE | A,B | 3CEP | 0.71 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.71 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.71 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.71 | ![]() |
DAQ![]() | O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1B | 0.72 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.78 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.78 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.78 | ![]() |
01W![]() | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.73 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.74 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.7 | ![]() |
GA0![]() | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.7 | ![]() |
HNT![]() | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.72 | ![]() |
DAE![]() | O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE- BERYLLIUM TRIFLUORIDE | A | 1D1A | 0.72 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.73 | ![]() |
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 | ![]() |