Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00056801
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 |
ONP | O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Y | 0.73 |  |
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 | 0.79 | |
DAQ | O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1B | 0.73 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.74 | |
| DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.74 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.77 | |
| PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.77 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.77 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.78 | |
221 | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.7 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.72 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.72 | |
| 3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.72 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.71 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.73 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.86 | |
A8B | A | 1ODC | 0.7 | | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.74 | |
MNQ | M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0X | 0.71 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.7 | |
| NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.7 | |
| NIT | 4-NITROANILINE | B | 1VBS | 0.7 | |
| NIT | 4-NITROANILINE | C | 1V9T | 0.7 | |
| NIT | 4-NITROANILINE | C,D | 1VBT | 0.7 | |
| NIT | 4-NITROANILINE | B | 1LOP | 0.7 | |
| NIT | 4-NITROANILINE | C,D | 1ZKF | 0.7 | |
| NIT | 4-NITROANILINE | B | 1PIP | 0.7 | |
3CZ | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.73 | |
PNQ | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Z | 0.74 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.71 | |
BHM | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.75 | |
IDM | INDOLINE | A,B | 3CEP | 0.74 | |
| IDM | INDOLINE | A | 1AEK | 0.74 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.78 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.81 | |
DAE | O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE- BERYLLIUM TRIFLUORIDE | A | 1D1A | 0.72 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.72 | |