Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011394
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 |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.74 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.75 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.7 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.7 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.73 | |
C2B | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.73 | |
C2A | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.75 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.7 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.71 | |
2CM | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.9 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.71 |