Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01529962
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 |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.78 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.72 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.75 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.75 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.74 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.75 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.75 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.72 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.73 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.71 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.71 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.7 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.71 | |
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 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.72 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.73 | |
IDM | INDOLINE | A,B | 3CEP | 0.75 | |
IDM | INDOLINE | A | 1AEK | 0.75 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.75 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.74 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.74 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.73 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.72 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.72 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.83 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.76 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.76 |