Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00714226
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 |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.75 |  |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.79 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.72 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.73 | |
| DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.73 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.74 | |
3CZ | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.8 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.74 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.7 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.76 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.76 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.74 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.71 | |
| NBZ | NITROBENZENE | A,B | 3BGU | 0.71 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.73 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.75 | |
| MGR | MALACHITE GREEN | A | 1Q8N | 0.75 | |
| MGR | MALACHITE GREEN | A,B | 3BR0 | 0.75 | |
| MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.75 | |
| MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.75 | |
| MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.75 | |
TNS | A,B,L | 2G2R | 0.77 | | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.79 | |
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 | 0.74 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.75 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.72 | |
| BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.72 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.74 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.75 | |
AAH | H | 1KEL | 0.72 | | |
| AAH | B,H | 1FL6 | 0.72 | | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.76 | |
| 3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.76 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.8 | |
| PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.8 | |