Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01672340
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 |  |
LAM | 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)- (1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)- (1-3)-BETA-D-GLUCOPYRANOSIDE | A | 1J8V | 0.7 | |
M2F | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-MANNOPYRANOSIDE | A,B | 2WBK | 0.73 | |
P28 | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | A,B | 2ROY | 0.7 | |
PNA | 4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE | A,B,C,D | 1VAM | 0.76 | |
ANX | 2,5-DINITROPHENOL | A,B,C,D,E,F, G,H | 2BFG | 0.71 | |
B67 | (2S)-2-hydroxy-2-methyl-N-[4-nitro- 3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | A | 3B67 | 0.71 | |
NCH | P-NITROPHENYL-PHOSPHOCHOLINE | L | 1DL7 | 0.75 | |
GAA | METANITROPHENYL-ALPHA-D-GALACTOSIDE | D,E,F,G,H | 1EEI | 0.81 | |
| GAA | METANITROPHENYL-ALPHA-D-GALACTOSIDE | D,E,F,G,H,L, M,N,O,P | 1LT6 | 0.81 | |
NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 1ZWP | 0.77 | |
| NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 3E9X | 0.77 | |
| NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 2OTH | 0.77 | |
GAT | 4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE | D,E,F,G,H | 1EFI | 0.71 | |
KHP | 2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)- TETRAHYDRO-FURAN-3,4-DIOL | A,B | 1QW9 | 0.76 | |
PNG | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | A | 2ZOX | 0.76 | |
| PNG | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | A,B,C,D | 1VAL | 0.76 | |
147 | 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C | 1KRV | 0.76 | |
| 147 | 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C,D | 1JYW | 0.76 | |
EPN | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.79 | |
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 | |
FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX8 | 0.72 | |
| FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX7 | 0.72 | |
| FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AXA | 0.72 | |
NFG | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-GLUCOPYRANOSIDE | A | 2PB1 | 0.73 | |
| NFG | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-GLUCOPYRANOSIDE | A | 1E4I | 0.73 | |
| NFG | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-GLUCOPYRANOSIDE | A | 1UYQ | 0.73 | |
XTG | 4-NITROPHENYL 6-THIO-6-S-ALPHA- D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | A,B,C,D,E,F | 2F2H | 0.72 | |
451 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin- 2-yl)acetamide | A | 3FYX | 0.74 | |
DCB | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO- BETA-D-CELLOBIOSIDE | A | 4A3H | 0.73 | |
| DCB | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO- BETA-D-CELLOBIOSIDE | A | 1H2J | 0.73 | |
145 | 1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C | 2PE5 | 0.76 | |
| 145 | 1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C,D | 1JYV | 0.76 | |
B68 | (2S)-3-[4-(acetylamino)phenoxy]- 2-hydroxy-2-methyl-N-[4-nitro-3- (trifluoromethyl)phenyl]propanamide | A | 3B68 | 0.73 | |
NPJ | 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL- ALPHA-D-GALACTOPYRANOSIDE | A,B,C | 2GGX | 0.76 | |
P32 | 4-{[(2S)-3-(tert-butylamino)-2- hydroxypropyl]oxy}-3H-indole-2- carbonitrile | A,B,C,D | 2VT4 | 0.73 | |
NPF | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B,C | 1EFA | 0.77 | |
| NPF | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B | 2PAF | 0.77 | |
| NPF | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B,C | 1JWL | 0.77 | |
PNJ | PNP-BETA-D-GLUCOSAMINE | A,B | 2VZU | 0.8 | |
| PNJ | PNP-BETA-D-GLUCOSAMINE | A,B | 2VZT | 0.8 | |