Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01253540
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 |
B66![]() | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl- 3-(4-nitrophenoxy)propyl]amino}- 2-(trifluoromethyl)benzonitrile | A | 3B66 | 0.74 | ![]() |
P28![]() | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | A,B | 2ROY | 0.72 | ![]() |
PNJ![]() | PNP-BETA-D-GLUCOSAMINE | A,B | 2VZU | 0.78 | ![]() |
PNJ![]() | PNP-BETA-D-GLUCOSAMINE | A,B | 2VZT | 0.78 | ![]() |
A32![]() | (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H,L, M,O,P,V,W,X, Y,Z | 1JQY | 0.75 | ![]() |
NPF![]() | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B,C | 1EFA | 0.71 | ![]() |
NPF![]() | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B | 2PAF | 0.71 | ![]() |
NPF![]() | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B,C | 1JWL | 0.71 | ![]() |
NPJ![]() | 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL- ALPHA-D-GALACTOPYRANOSIDE | A,B,C | 2GGX | 0.72 | ![]() |
A24![]() | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H | 1JR0 | 0.75 | ![]() |
145![]() | 1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C | 2PE5 | 0.72 | ![]() |
145![]() | 1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C,D | 1JYV | 0.72 | ![]() |
1DM![]() | N-(2-MORPHOLIN-4-YL-1-MORPHOLIN- 4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5- TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-2-YLOXY)-BENZAMIDE | D,E,F,G,H | 1PZI | 0.73 | ![]() |
BV2![]() | 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)- BENZOYLAMINO]-PROPYL}-PIPERAZIN- 1-YL)-PROPYL-AMINO]-CARBONYLOXY)- 2-AMINO-PROPANE | D,E,F,G,H | 1RD9 | 0.71 | ![]() |
PNA![]() | 4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE | A,B,C,D | 1VAM | 0.72 | ![]() |
GAA![]() | METANITROPHENYL-ALPHA-D-GALACTOSIDE | D,E,F,G,H | 1EEI | 0.74 | ![]() |
GAA![]() | METANITROPHENYL-ALPHA-D-GALACTOSIDE | D,E,F,G,H,L, M,N,O,P | 1LT6 | 0.74 | ![]() |
P32![]() | 4-{[(2S)-3-(tert-butylamino)-2- hydroxypropyl]oxy}-3H-indole-2- carbonitrile | A,B,C,D | 2VT4 | 0.7 | ![]() |
9AR![]() | 9-HYDROXY ARISTOLOCHIC ACID | A,B | 1FV0 | 0.7 | ![]() |
15B![]() | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- BETA-BENZAMIDE | D,E,F,G,H | 1PZJ | 0.73 | ![]() |
M09![]() | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane- 8,9,10-triol | A | 2QRM | 0.74 | ![]() |
147![]() | 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C | 1KRV | 0.72 | ![]() |
147![]() | 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C,D | 1JYW | 0.72 | ![]() |
CLC![]() | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.7 | ![]() |
PNG![]() | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | A | 2ZOX | 0.72 | ![]() |
PNG![]() | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | A,B,C,D | 1VAL | 0.72 | ![]() |
J15![]() | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- ALPHA-BENZAMIDE | D,E,F,G,H | 1PZJ | 0.73 | ![]() |
KHP![]() | 2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)- TETRAHYDRO-FURAN-3,4-DIOL | A,B | 1QW9 | 0.72 | ![]() |
FNG![]() | 5-AMINOCARBONYL-3-NITROPHENYL-ALPHA- D-GALACTOPYRANOSE | D,E,F,G,H | 1LLR | 0.73 | ![]() |
4BU![]() | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.7 | ![]() |