Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00045271
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 |
1JZ | 1-[4-(hydroxymethyl)phenyl]guanidine | B | 3FVF | 0.74 |  |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.73 | |
| RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.73 | |
| RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.73 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.72 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.73 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.79 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.71 | |
CLK | ALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOL | A | 1GRQ | 0.7 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.73 | |
790 | 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | A | 1O4F | 0.71 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.71 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.73 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.74 | |
| BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.74 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.72 | |
| XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.72 | |
EDR | EDROPHONIUM ION | A | 1AX9 | 0.71 | |
| EDR | EDROPHONIUM ION | A | 2ACK | 0.71 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.74 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.72 | |
LI6 | 3,4-DIHYDROXY-1-METHYLQUINOLIN- 2(1H)-ONE | A | 1YXV | 0.79 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.8 | |
| NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.8 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A | 1UPV | 0.7 | |
| 444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B | 2O9I | 0.7 | |
| 444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B,C,D | 1PQC | 0.7 | |
| 444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B | 1UHL | 0.7 | |
| 444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A | 1UPW | 0.7 | |