Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03218692
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 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.75 | |
221 | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.72 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.72 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.72 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.72 | |
CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1XI2 | 0.72 | |
CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1ZX1 | 0.72 | |
CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1IDT | 0.72 | |
CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 2BZS | 0.72 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.73 | |
BHM | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.79 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.7 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.7 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.7 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.7 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.83 | |
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 | 0.72 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.76 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.73 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1TV5 | 0.71 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1D3H | 0.71 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.83 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.71 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.71 |