Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052881
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 |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.78 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3GT4 | 0.74 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3T | 0.74 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3D | 0.74 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3S | 0.74 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E79 | 0.74 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.79 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.79 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.79 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.79 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.79 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.79 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.79 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.79 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.79 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.79 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.79 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.88 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.81 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.7 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.7 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.7 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.74 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.75 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.8 | |
HAB | A,B | 1SRE | 0.72 | ||
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.79 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.79 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.79 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.79 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.79 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.73 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.7 | |
MHB | A,B | 1SRG | 0.71 | ||
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.71 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.73 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.73 | |
EOZ | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.71 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.7 | |
DMB | A,B | 1SRI | 0.71 | ||
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.72 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.73 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.73 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.73 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.74 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.82 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.82 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.82 | |
U14 | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.75 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.84 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.84 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.84 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.84 | |
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 | |
SX1 | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.72 | |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.71 |