Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01777713
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 |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.7 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.74 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.74 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.74 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.72 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.79 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.71 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.83 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.83 | |
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 | 0.74 | |
529 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE | A,C,D | 2BPM | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 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 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.72 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.72 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.72 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.72 | |
A8B | A | 1ODC | 0.71 | ||
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.75 | |
IDM | INDOLINE | A,B | 3CEP | 0.77 | |
IDM | INDOLINE | A | 1AEK | 0.77 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.71 |