Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00056197
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 |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.84 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.72 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.78 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.78 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.87 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.87 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.87 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.87 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.87 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.87 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.87 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.87 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.77 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.77 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.8 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.8 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.8 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.78 | |
PND | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.8 | |
259 | 1-(methylsulfanyl)-4-nitrobenzene | X | 2RAZ | 0.74 | |
ANL | ANILINE | A | 2OV4 | 0.75 | |
ANL | ANILINE | A | 1AEE | 0.75 | |
ANL | ANILINE | A | 1PPA | 0.75 | |
ANL | ANILINE | A | 1HJ9 | 0.75 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.76 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.79 | |
U13 | 4-(4-FLUORO-PHENYLAZO)-5-IMINO- 5H-PYRAZOL-3-YLAMINE | A | 2GG3 | 0.71 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.76 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.81 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.75 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.71 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.7 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.86 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.86 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.83 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.83 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.83 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.71 |