Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02006025
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 |
AGB | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.71 |  |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.75 | |
| 14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.75 | |
| 14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.75 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.75 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.75 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.75 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.75 | |
529 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE | A,C,D | 2BPM | 0.72 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.7 | |
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 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.7 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.71 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.72 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.74 | |
| PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.74 | |
| PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.74 | |
| PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.74 | |
| PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.74 | |
| PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.74 | |
| PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.74 | |
ZAT | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.7 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.71 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.74 | |
| MGR | MALACHITE GREEN | A | 1Q8N | 0.74 | |
| MGR | MALACHITE GREEN | A,B | 3BR0 | 0.74 | |
| MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.74 | |
| MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.74 | |
| MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.74 | |
IDM | INDOLINE | A,B | 3CEP | 0.75 | |
| IDM | INDOLINE | A | 1AEK | 0.75 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.71 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.73 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.82 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.74 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.72 | |
SII | N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide | A | 3FKT | 0.7 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.72 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.76 | |