Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006326
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 |
DMB | A,B | 1SRI | 0.72 | ||
HAB | A,B | 1SRE | 0.75 | ||
MTB | A,B | 1SRF | 0.7 | ||
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.72 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.72 | |
HTC | 3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE- 2-CARBOXYLIC ACID | A,B | 1XGJ | 0.75 | |
NAB | A,B | 1SRJ | 0.7 | ||
ST2 | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID | A,B | 1IVC | 0.76 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.87 | |
NPC | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.78 | |
NPO | P-NITROPHENOL | A,B | 1Z44 | 0.7 | |
NPO | P-NITROPHENOL | X | 2ZYW | 0.7 | |
NPO | P-NITROPHENOL | H,L | 1YEK | 0.7 | |
NPO | P-NITROPHENOL | A,C,E,G | 43CA | 0.7 | |
NPO | P-NITROPHENOL | A | 1LS6 | 0.7 | |
NPO | P-NITROPHENOL | X | 2ZVP | 0.7 | |
NPO | P-NITROPHENOL | A,B | 2I10 | 0.7 | |
NPO | P-NITROPHENOL | A | 1VAH | 0.7 | |
NPO | P-NITROPHENOL | A,B | 3ETT | 0.7 | |
NPO | P-NITROPHENOL | A,B | 2D20 | 0.7 | |
NPO | P-NITROPHENOL | X | 2ZYV | 0.7 | |
4A3 | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.91 | |
A05 | 5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID | A | 2Q95 | 0.71 | |
B23 | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.71 | |
NIP | 4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION | H | 1A6W | 0.75 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.75 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.75 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.75 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.74 | |
ACJ | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]- 2-NITROBENZOIC ACID | A,B | 2IVD | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.72 | |
MHB | A,B | 1SRG | 0.74 | ||
BIE | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE | A,B | 2CL5 | 0.8 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.71 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.77 | |
BIA | 1-(3,4,DIHYDROXY-5-NITROPHENYL)- 3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN- 1-YL}PROPAN-1-ONE | A | 1H1D | 0.72 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.75 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.8 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.8 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.8 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1GAF | 0.7 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1AJ7 | 0.7 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.83 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.83 | |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.72 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.73 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.73 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.78 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.71 | |
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.73 | |
TNF | PICRIC ACID | A | 1GVS | 0.7 | |
TNF | PICRIC ACID | X | 1VYP | 0.7 | |
TNF | PICRIC ACID | A | 1VYR | 0.7 | |
TNF | PICRIC ACID | X | 1VYS | 0.7 | |
4AA | 4-CHLORO-3-HYDROXYANTHRANILIC ACID | A | 1YFW | 0.74 | |
4AA | 4-CHLORO-3-HYDROXYANTHRANILIC ACID | A | 1YFX | 0.74 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.74 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B16 | 0.72 | |
DNF | 2,4-DINITROPHENOL | H,J,L,N | 1OAU | 0.72 | |
DNF | 2,4-DINITROPHENOL | A | 1GVO | 0.72 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B15 | 0.72 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B14 | 0.72 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.9 | |
HNA | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.74 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.78 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.78 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.78 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.78 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.78 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.71 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.71 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.71 | |
MR2 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSM | 0.74 | |
ANX | 2,5-DINITROPHENOL | A,B,C,D,E,F, G,H | 2BFG | 0.74 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.71 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.81 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.81 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.81 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.81 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.81 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.72 | |
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 | |
ST1 | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A,B | 1IVD | 0.8 | |
ST1 | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A | 1IVB | 0.8 |