Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052409
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 |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.7 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.7 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.7 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.7 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.72 | |
SBN | 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE | A | 1JLQ | 0.71 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.7 | |
817 | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}- 3-TRIFLUOROMETHYL-BENZENE | A | 2ANO | 0.71 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.7 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.78 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.78 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.78 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.78 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.7 | |
2CM | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.73 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.7 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.84 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.81 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.8 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.8 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.8 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.8 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.71 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.71 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.7 | |
U12 | 5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG2 | 0.71 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.73 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.73 | |
U19 | 5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG5 | 0.73 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.8 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.76 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.79 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.79 |