Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00635661
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 |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.74 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.74 | |
MPX | 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE | A | 1ZH9 | 0.73 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.8 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.71 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.71 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.72 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.71 | |
4ND | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.73 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.79 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.71 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.71 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.71 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.71 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.71 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.71 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.79 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.7 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.72 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.88 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.82 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.82 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.86 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.86 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.81 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.76 |