Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01247516
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 |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.7 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.71 | |
53N | 3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid | A | 3DN5 | 0.7 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.74 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.71 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.71 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.71 | |
259 | 1-(methylsulfanyl)-4-nitrobenzene | X | 2RAZ | 0.78 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.72 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.72 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.72 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.76 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.76 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.89 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.71 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.72 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.72 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.72 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.72 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.72 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.72 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.72 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.72 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.77 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.81 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.81 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.8 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.8 |