Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02333657
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 |
23N | (2R)-2-benzyl-3-nitropropanoic acid | A | 2RFH | 0.72 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.8 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.84 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.77 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.78 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.7 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.71 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.8 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.77 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.9 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.74 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.77 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.77 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.74 | |
53N | 3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid | A | 3DN5 | 0.76 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.85 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.7 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.7 | |
KYN | KYNURENINE | A | 1XT7 | 0.7 | |
KYN | KYNURENINE | A | 1T5M | 0.7 | |
KYN | KYNURENINE | A | 1T5N | 0.7 | |
KYN | KYNURENINE | A | 2VOV | 0.7 | |
KYN | KYNURENINE | A | 2VOX | 0.7 | |
AAH | H | 1KEL | 0.73 | ||
AAH | B,H | 1FL6 | 0.73 | ||
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.71 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.71 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.71 | |
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 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.7 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.7 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.74 | |
TNS | A,B,L | 2G2R | 0.74 |