Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02339358
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 |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.72 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.72 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.72 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.74 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.72 | |
IBR | A | 9EST | 0.71 | ||
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.73 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.73 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.71 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.71 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.71 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.71 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.87 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.74 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.74 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.72 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.72 | |
SX1 | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.71 | |
4BF | 4-BROMO-L-PHENYLALANINE | A | 2AG6 | 0.71 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.73 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.74 | |
23N | (2R)-2-benzyl-3-nitropropanoic acid | A | 2RFH | 0.75 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.71 | |
AAH | H | 1KEL | 0.75 | ||
AAH | B,H | 1FL6 | 0.75 | ||
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.89 | |
53N | 3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid | A | 3DN5 | 0.79 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.71 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.7 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.82 | |
TNS | A,B,L | 2G2R | 0.73 | ||
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.73 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.81 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.77 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.84 |