Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03778935
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 |
4NB![]() | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.8 | ![]() |
HNA![]() | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.79 | ![]() |
DNT![]() | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.71 | ![]() |
MHB![]() | A,B | 1SRG | 0.8 | ![]() | |
ACJ![]() | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]- 2-NITROBENZOIC ACID | A,B | 2IVD | 0.73 | ![]() |
BIA![]() | 1-(3,4,DIHYDROXY-5-NITROPHENYL)- 3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN- 1-YL}PROPAN-1-ONE | A | 1H1D | 0.71 | ![]() |
DMB![]() | A,B | 1SRI | 0.78 | ![]() | |
9AR![]() | 9-HYDROXY ARISTOLOCHIC ACID | A,B | 1FV0 | 0.71 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2ADP | 0.75 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 3DIV | 0.75 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2H5U | 0.75 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 1K4Q | 0.75 | ![]() |
NIY![]() | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.75 | ![]() |
3HA![]() | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.78 | ![]() |
3HA![]() | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.78 | ![]() |
ST2![]() | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID | A,B | 1IVC | 0.76 | ![]() |
NPC![]() | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.7 | ![]() |
BIE![]() | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE | A,B | 2CL5 | 0.78 | ![]() |
HAB![]() | A,B | 1SRE | 0.78 | ![]() | |
NTD![]() | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.74 | ![]() |
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 | ![]() |
NAB![]() | A,B | 1SRJ | 0.75 | ![]() | |
NPA![]() | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.81 | ![]() |
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 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.73 | ![]() |
NCR![]() | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.72 | ![]() |
MTB![]() | A,B | 1SRF | 0.76 | ![]() | |
4NC![]() | 4-NITROCATECHOL | A | 1NO3 | 0.71 | ![]() |
4NC![]() | 4-NITROCATECHOL | B | 2BUU | 0.71 | ![]() |
4NC![]() | 4-NITROCATECHOL | B | 2BUZ | 0.71 | ![]() |
4NC![]() | 4-NITROCATECHOL | B | 1EOC | 0.71 | ![]() |
NPE![]() | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1GAF | 0.7 | ![]() |
NPE![]() | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1AJ7 | 0.7 | ![]() |
MR2![]() | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSM | 0.72 | ![]() |
SCL![]() | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.75 | ![]() |
MOB![]() | A,B | 1SRH | 0.71 | ![]() | |
DMC![]() | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.73 | ![]() |
4MB![]() | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.7 | ![]() |
MNY![]() | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.72 | ![]() |
4AA![]() | 4-CHLORO-3-HYDROXYANTHRANILIC ACID | A | 1YFW | 0.7 | ![]() |
4AA![]() | 4-CHLORO-3-HYDROXYANTHRANILIC ACID | A | 1YFX | 0.7 | ![]() |
MNP![]() | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.74 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.74 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.74 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.74 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A | 3FHB | 0.74 | ![]() |
FNG![]() | 5-AMINOCARBONYL-3-NITROPHENYL-ALPHA- D-GALACTOPYRANOSE | D,E,F,G,H | 1LLR | 0.74 | ![]() |
4A3![]() | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.79 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.79 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.79 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.79 | ![]() |
B23![]() | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.72 | ![]() |
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 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1PBD | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | B | 2DZA | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUS | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUU | 0.72 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUT | 0.72 | ![]() |
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 | ![]() |