Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03356546
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 |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.72 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.82 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.82 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.82 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.82 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.82 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.82 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.82 | |
CS1 | S-(2-ANILINYL-SULFANYL)-CYSTEINE | A,B | 2OMA | 0.73 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.76 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.78 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.77 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.74 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.75 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.75 | |
FOE | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.73 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 5GST | 0.71 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A | 1HNA | 0.71 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 1VF3 | 0.71 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B,C,D | 1HNC | 0.71 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B,C | 1XWK | 0.71 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 18GS | 0.71 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A | 1GSQ | 0.71 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 1HNB | 0.71 | |
53N | 3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid | A | 3DN5 | 0.74 | |
AAH | H | 1KEL | 0.75 | ||
AAH | B,H | 1FL6 | 0.75 | ||
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.72 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.75 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.74 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.74 | |
TYX | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.74 | |
GNB | S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE | A,B,C,D | 1QIP | 0.71 | |
DOE | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.71 | |
TNS | A,B,L | 2G2R | 0.75 | ||
TNB | S-(2,3,6-TRINITROPHENYL)CYSTEINE | A,B,C,D,E,F, G,H | 1AQX | 0.8 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.85 | |
R1F | 3-{[(2,2,5,5-TETRAMETHYL-1-OXO- 4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM- 3-YL)METHYL]DISULFANYL}-D-ALANINE | A | 1ZUR | 0.72 | |
TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E36 | 0.74 | |
TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E37 | 0.74 | |
TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E38 | 0.74 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.71 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.71 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.71 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.71 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.71 |