Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00820810
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 |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.8 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.7 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.73 | |
A8B | A | 1ODC | 0.72 | ||
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.71 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.72 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.74 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.78 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.78 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.75 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.7 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.71 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.71 | |
3CZ | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.73 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.79 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.72 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.76 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.76 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.75 | |
AAH | H | 1KEL | 0.72 | ||
AAH | B,H | 1FL6 | 0.72 |