Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01527451
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 |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.75 | |
IDM | INDOLINE | A,B | 3CEP | 0.71 | |
IDM | INDOLINE | A | 1AEK | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.72 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.72 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.71 | |
ARR | N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE- 2-CARBOXIMIDAMIDE | A,B | 1VAF | 0.71 | |
ARR | N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE- 2-CARBOXIMIDAMIDE | A | 1VAG | 0.71 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.72 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.8 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.81 | |
ZMG | (5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one | A,B,C,D | 2RBE | 0.77 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.72 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.72 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.72 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.72 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.72 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.72 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.7 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.77 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.77 |