Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00290651
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 |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.71 |  |
TNB | S-(2,3,6-TRINITROPHENYL)CYSTEINE | A,B,C,D,E,F, G,H | 1AQX | 0.7 | |
DAE | O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE- BERYLLIUM TRIFLUORIDE | A | 1D1A | 0.8 | |
SG1 | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)- BENZENESULFONAMIDE | A | 1KWQ | 0.71 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.7 | |
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 | 0.76 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.7 | |
AAH | H | 1KEL | 0.71 | | |
| AAH | B,H | 1FL6 | 0.71 | | |
TYX | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.71 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.77 | |
MNQ | M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0X | 0.75 | |
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 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.73 | |
ONP | O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Y | 0.77 | |
01W | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.94 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.7 | |
PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,B,C | 1L2O | 0.76 | |
| PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,C | 1KWO | 0.76 | |
DAQ | O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1B | 0.8 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.83 | |
PNQ | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Z | 0.74 | |
NMQ | N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1C | 0.72 | |
TNS | A,B,L | 2G2R | 0.73 | | |
W22 | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.72 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 5GST | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A | 1HNA | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 1VF3 | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B,C,D | 1HNC | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B,C | 1XWK | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 18GS | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A | 1GSQ | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 1HNB | 0.7 | |