Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02844936
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 | 0.74 | |
C1M | 1-(4-CHLOROPHENYL)-2,3-DIHYDRO- 1H-TETRAZOLE | B,I | 2C90 | 0.72 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.7 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.71 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.8 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.75 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.76 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.76 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.79 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.73 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.73 | |
ANL | ANILINE | A | 2OV4 | 0.71 | |
ANL | ANILINE | A | 1AEE | 0.71 | |
ANL | ANILINE | A | 1PPA | 0.71 | |
ANL | ANILINE | A | 1HJ9 | 0.71 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.71 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.71 | |
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 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.71 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.78 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.7 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.7 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.81 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.75 |