Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00291314
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 |
HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPR | 0.71 |  |
| HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A,B | 2OPS | 0.71 | |
| HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPP | 0.71 | |
| HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPQ | 0.71 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.72 | |
| PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.72 | |
SG1 | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)- BENZENESULFONAMIDE | A | 1KWQ | 0.71 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.72 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.71 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.93 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.76 | |
DAQ | O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1B | 0.78 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.86 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.71 | |
| NBZ | NITROBENZENE | A,B | 3BGU | 0.71 | |
MNQ | M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0X | 0.74 | |
01W | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.79 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.7 | |
ONP | O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Y | 0.8 | |
PNQ | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Z | 0.75 | |
NMQ | N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1C | 0.77 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.71 | |
| CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.71 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.78 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.72 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.78 | |
DAE | O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE- BERYLLIUM TRIFLUORIDE | A | 1D1A | 0.77 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.75 | |
| NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.75 | |
| NIT | 4-NITROANILINE | B | 1VBS | 0.75 | |
| NIT | 4-NITROANILINE | C | 1V9T | 0.75 | |
| NIT | 4-NITROANILINE | C,D | 1VBT | 0.75 | |
| NIT | 4-NITROANILINE | B | 1LOP | 0.75 | |
| NIT | 4-NITROANILINE | C,D | 1ZKF | 0.75 | |
| NIT | 4-NITROANILINE | B | 1PIP | 0.75 | |
NPP | N-(2-AMINO-ETHYL)-4,6-DINITRO-N'- (2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN- 4-YL)-BENZENE-1,3-DIAMINE | L | 1BAF | 0.85 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.76 | |