Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019241
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 | ![]() |
3HA![]() | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.75 | ![]() |
3HA![]() | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.75 | ![]() |
BIE![]() | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE | A,B | 2CL5 | 0.75 | ![]() |
NPC![]() | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.75 | ![]() |
MOB![]() | A,B | 1SRH | 0.72 | ![]() | |
FNG![]() | 5-AMINOCARBONYL-3-NITROPHENYL-ALPHA- D-GALACTOPYRANOSE | D,E,F,G,H | 1LLR | 0.71 | ![]() |
HAB![]() | A,B | 1SRE | 0.74 | ![]() | |
MTB![]() | A,B | 1SRF | 0.72 | ![]() | |
4A3![]() | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.75 | ![]() |
MNP![]() | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.71 | ![]() |
194![]() | 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6P | 0.74 | ![]() |
NIP![]() | 4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION | H | 1A6W | 0.73 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.7 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.7 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.7 | ![]() |
TYQ![]() | 3-AMINO-6-HYDROXY-TYROSINE | A,B | 1D6Y | 0.74 | ![]() |
TYQ![]() | 3-AMINO-6-HYDROXY-TYROSINE | A,B | 1D6U | 0.74 | ![]() |
MPB![]() | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.74 | ![]() |
MPB![]() | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.74 | ![]() |
4NB![]() | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.76 | ![]() |
SCL![]() | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.71 | ![]() |
A05![]() | 5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID | A | 2Q95 | 0.71 | ![]() |
ICU![]() | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.72 | ![]() |
B23![]() | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.76 | ![]() |
DMB![]() | A,B | 1SRI | 0.73 | ![]() | |
NPA![]() | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.84 | ![]() |
NRO![]() | 3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid | A,B | 2ZK5 | 0.73 | ![]() |
MNX![]() | 1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE | A | 1M2Q | 0.78 | ![]() |
TY2![]() | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.74 | ![]() |
ST1![]() | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A,B | 1IVD | 0.73 | ![]() |
ST1![]() | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A | 1IVB | 0.73 | ![]() |
9AR![]() | 9-HYDROXY ARISTOLOCHIC ACID | A,B | 1FV0 | 0.72 | ![]() |
MR2![]() | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSM | 0.77 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2ADP | 0.8 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 3DIV | 0.8 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2H5U | 0.8 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 1K4Q | 0.8 | ![]() |
NIY![]() | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.8 | ![]() |
NCR![]() | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.78 | ![]() |
AZY![]() | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.73 | ![]() |
MHB![]() | A,B | 1SRG | 0.75 | ![]() | |
DNT![]() | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.73 | ![]() |
HNA![]() | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.74 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.72 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.71 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.71 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.71 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.71 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.71 | ![]() |
195![]() | 4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6Q | 0.71 | ![]() |
DNF![]() | 2,4-DINITROPHENOL | A,B | 2B16 | 0.7 | ![]() |
DNF![]() | 2,4-DINITROPHENOL | H,J,L,N | 1OAU | 0.7 | ![]() |
DNF![]() | 2,4-DINITROPHENOL | A | 1GVO | 0.7 | ![]() |
DNF![]() | 2,4-DINITROPHENOL | A,B | 2B15 | 0.7 | ![]() |
DNF![]() | 2,4-DINITROPHENOL | A,B | 2B14 | 0.7 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.73 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.73 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.73 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A | 3FHB | 0.73 | ![]() |
ACJ![]() | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]- 2-NITROBENZOIC ACID | A,B | 2IVD | 0.71 | ![]() |