Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01078982
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 |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.7 |  |
CSN | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM | P | 1E2S | 0.75 | |
| CSN | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM | A | 1PA9 | 0.75 | |
LAM | 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)- (1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)- (1-3)-BETA-D-GLUCOPYRANOSIDE | A | 1J8V | 0.78 | |
B68 | (2S)-3-[4-(acetylamino)phenoxy]- 2-hydroxy-2-methyl-N-[4-nitro-3- (trifluoromethyl)phenyl]propanamide | A | 3B68 | 0.71 | |
4NC | 4-NITROCATECHOL | A | 1NO3 | 0.78 | |
| 4NC | 4-NITROCATECHOL | B | 2BUU | 0.78 | |
| 4NC | 4-NITROCATECHOL | B | 2BUZ | 0.78 | |
| 4NC | 4-NITROCATECHOL | B | 1EOC | 0.78 | |
GAT | 4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE | D,E,F,G,H | 1EFI | 0.8 | |
N4E | N-(4-ethoxyphenyl)acetamide | A,B,C,D | 3EBS | 0.76 | |
TN5 | 2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL | A,B | 1ZW1 | 0.71 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.71 | |
| CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.71 | |
| CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.71 | |
DCB | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO- BETA-D-CELLOBIOSIDE | A | 4A3H | 0.79 | |
| DCB | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO- BETA-D-CELLOBIOSIDE | A | 1H2J | 0.79 | |
4NS | 4-nitrophenyl sulfate | X | 2ZYU | 0.8 | |
PNA | 4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE | A,B,C,D | 1VAM | 0.88 | |
GAA | METANITROPHENYL-ALPHA-D-GALACTOSIDE | D,E,F,G,H | 1EEI | 0.83 | |
| GAA | METANITROPHENYL-ALPHA-D-GALACTOSIDE | D,E,F,G,H,L, M,N,O,P | 1LT6 | 0.83 | |
NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 1ZWP | 0.75 | |
| NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 3E9X | 0.75 | |
| NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 2OTH | 0.75 | |
NPF | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B,C | 1EFA | 0.83 | |
| NPF | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B | 2PAF | 0.83 | |
| NPF | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B,C | 1JWL | 0.83 | |
NPJ | 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL- ALPHA-D-GALACTOPYRANOSIDE | A,B,C | 2GGX | 0.85 | |
XTG | 4-NITROPHENYL 6-THIO-6-S-ALPHA- D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | A,B,C,D,E,F | 2F2H | 0.8 | |
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 | 0.71 | |
NFG | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-GLUCOPYRANOSIDE | A | 2PB1 | 0.81 | |
| NFG | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-GLUCOPYRANOSIDE | A | 1E4I | 0.81 | |
| NFG | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-GLUCOPYRANOSIDE | A | 1UYQ | 0.81 | |
TN2 | 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL | A,B | 1ZSN | 0.78 | |
4NP | 4-NITROPHENYL PHOSPHATE | A,B | 1D1Q | 0.79 | |
| 4NP | 4-NITROPHENYL PHOSPHATE | A,B | 1VE7 | 0.79 | |
| 4NP | 4-NITROPHENYL PHOSPHATE | A | 2I6P | 0.79 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.74 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B16 | 0.76 | |
| DNF | 2,4-DINITROPHENOL | H,J,L,N | 1OAU | 0.76 | |
| DNF | 2,4-DINITROPHENOL | A | 1GVO | 0.76 | |
| DNF | 2,4-DINITROPHENOL | A,B | 2B15 | 0.76 | |
| DNF | 2,4-DINITROPHENOL | A,B | 2B14 | 0.76 | |
147 | 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C | 1KRV | 0.88 | |
| 147 | 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C,D | 1JYW | 0.88 | |
PNG | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | A | 2ZOX | 0.88 | |
| PNG | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | A,B,C,D | 1VAL | 0.88 | |
KHP | 2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)- TETRAHYDRO-FURAN-3,4-DIOL | A,B | 1QW9 | 0.89 | |
ANX | 2,5-DINITROPHENOL | A,B,C,D,E,F, G,H | 2BFG | 0.72 | |
B4N | bis(4-nitrophenyl) hydrogen phosphate | A | 3DH8 | 0.77 | |
145 | 1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C | 2PE5 | 0.83 | |
| 145 | 1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C,D | 1JYV | 0.83 | |
EPN | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.96 | |
PNP | METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER | A,B,D,F | 1KNO | 0.78 | |
| PNP | METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER | A | 1ZED | 0.78 | |
M2F | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-MANNOPYRANOSIDE | A,B | 2WBK | 0.81 | |
NPO | P-NITROPHENOL | A,B | 1Z44 | 0.81 | |
| NPO | P-NITROPHENOL | X | 2ZYW | 0.81 | |
| NPO | P-NITROPHENOL | H,L | 1YEK | 0.81 | |
| NPO | P-NITROPHENOL | A,C,E,G | 43CA | 0.81 | |
| NPO | P-NITROPHENOL | A | 1LS6 | 0.81 | |
| NPO | P-NITROPHENOL | X | 2ZVP | 0.81 | |
| NPO | P-NITROPHENOL | A,B | 2I10 | 0.81 | |
| NPO | P-NITROPHENOL | A | 1VAH | 0.81 | |
| NPO | P-NITROPHENOL | A,B | 3ETT | 0.81 | |
| NPO | P-NITROPHENOL | A,B | 2D20 | 0.81 | |
| NPO | P-NITROPHENOL | X | 2ZYV | 0.81 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.7 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1GAF | 0.74 | |
| NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1AJ7 | 0.74 | |
DNC | 3,5-DINITROCATECHOL | A | 3BWY | 0.72 | |
| DNC | 3,5-DINITROCATECHOL | A | 3BWM | 0.72 | |
| DNC | 3,5-DINITROCATECHOL | A | 1VID | 0.72 | |
PNJ | PNP-BETA-D-GLUCOSAMINE | A,B | 2VZU | 0.8 | |
| PNJ | PNP-BETA-D-GLUCOSAMINE | A,B | 2VZT | 0.8 | |
TNF | PICRIC ACID | A | 1GVS | 0.73 | |
| TNF | PICRIC ACID | X | 1VYP | 0.73 | |
| TNF | PICRIC ACID | A | 1VYR | 0.73 | |
| TNF | PICRIC ACID | X | 1VYS | 0.73 | |
4NL | 4-AMINOPHENOL | A | 2ORL | 0.71 | |
NCH | P-NITROPHENYL-PHOSPHOCHOLINE | L | 1DL7 | 0.76 | |