Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02306098
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 |
TNL![]() | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.71 | ![]() |
I7B![]() | 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE | A | 2POV | 0.7 | ![]() |
259![]() | 1-(methylsulfanyl)-4-nitrobenzene | X | 2RAZ | 0.77 | ![]() |
TNB![]() | S-(2,3,6-TRINITROPHENYL)CYSTEINE | A,B,C,D,E,F, G,H | 1AQX | 0.71 | ![]() |
AAS![]() | 3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE | A | 1CZM | 0.73 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 2BMQ | 0.74 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 3BGU | 0.74 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1RMH | 0.78 | ![]() |
NIT![]() | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.78 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1VBS | 0.78 | ![]() |
NIT![]() | 4-NITROANILINE | C | 1V9T | 0.78 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1VBT | 0.78 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1LOP | 0.78 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1ZKF | 0.78 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1PIP | 0.78 | ![]() |
PND![]() | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.72 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1RSM | 0.79 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GVY | 0.79 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GW1 | 0.79 | ![]() |
AMS![]() | 3-MERCURI-4-AMINOBENZENESULFONAMIDE | A | 3CA2 | 0.8 | ![]() |
SAN![]() | SULFANILAMIDE | A | 1AJ0 | 0.79 | ![]() |
MB1![]() | 2-chloro-5-nitrobenzenesulfonamide | A | 2QP6 | 0.76 | ![]() |
NPB![]() | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.76 | ![]() |