Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02415019
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 |
NPO | P-NITROPHENOL | A,B | 1Z44 | 0.73 |  |
| NPO | P-NITROPHENOL | X | 2ZYW | 0.73 | |
| NPO | P-NITROPHENOL | H,L | 1YEK | 0.73 | |
| NPO | P-NITROPHENOL | A,C,E,G | 43CA | 0.73 | |
| NPO | P-NITROPHENOL | A | 1LS6 | 0.73 | |
| NPO | P-NITROPHENOL | X | 2ZVP | 0.73 | |
| NPO | P-NITROPHENOL | A,B | 2I10 | 0.73 | |
| NPO | P-NITROPHENOL | A | 1VAH | 0.73 | |
| NPO | P-NITROPHENOL | A,B | 3ETT | 0.73 | |
| NPO | P-NITROPHENOL | A,B | 2D20 | 0.73 | |
| NPO | P-NITROPHENOL | X | 2ZYV | 0.73 | |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.78 | |
PET | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA- PENTANE | B | 166D | 0.72 | |
NPJ | 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL- ALPHA-D-GALACTOPYRANOSIDE | A,B,C | 2GGX | 0.74 | |
PNA | 4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE | A,B,C,D | 1VAM | 0.76 | |
145 | 1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C | 2PE5 | 0.74 | |
| 145 | 1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C,D | 1JYV | 0.74 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.74 | |
PNP | METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER | A,B,D,F | 1KNO | 0.71 | |
| PNP | METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER | A | 1ZED | 0.71 | |
KHP | 2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)- TETRAHYDRO-FURAN-3,4-DIOL | A,B | 1QW9 | 0.76 | |
DID | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.73 | |
M2F | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-MANNOPYRANOSIDE | A,B | 2WBK | 0.7 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.75 | |
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 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,C,D,I,J, K,L | 3EWF | 0.74 | |
| MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,I,L | 2V5W | 0.74 | |
| MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | B | 1VDN | 0.74 | |
| MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | C | 1VAI | 0.74 | |
MNX | 1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE | A | 1M2Q | 0.7 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.73 | |
| TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.73 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.73 | |
EPN | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.85 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.77 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR4 | 0.72 | |
| PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | B | 1D64 | 0.72 | |
| PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR5 | 0.72 | |
| PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | A,B,D,E | 1RKW | 0.72 | |
N4E | N-(4-ethoxyphenyl)acetamide | A,B,C,D | 3EBS | 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 | |
NPF | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B,C | 1EFA | 0.74 | |
| NPF | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B | 2PAF | 0.74 | |
| NPF | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE | A,B,C | 1JWL | 0.74 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.78 | |
| CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.78 | |
| CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.78 | |
MAZ | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.72 | |
4NS | 4-nitrophenyl sulfate | X | 2ZYU | 0.73 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.71 | |
| RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.71 | |
| RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.71 | |
NFG | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-GLUCOPYRANOSIDE | A | 2PB1 | 0.7 | |
| NFG | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-GLUCOPYRANOSIDE | A | 1E4I | 0.7 | |
| NFG | 2,4-DINITROPHENYL 2-DEOXY-2-FLUORO- BETA-D-GLUCOPYRANOSIDE | A | 1UYQ | 0.7 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.78 | |
B68 | (2S)-3-[4-(acetylamino)phenoxy]- 2-hydroxy-2-methyl-N-[4-nitro-3- (trifluoromethyl)phenyl]propanamide | A | 3B68 | 0.73 | |
TN2 | 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL | A,B | 1ZSN | 0.71 | |
FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX8 | 0.74 | |
| FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX7 | 0.74 | |
| FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AXA | 0.74 | |
B4N | bis(4-nitrophenyl) hydrogen phosphate | A | 3DH8 | 0.74 | |
B67 | (2S)-2-hydroxy-2-methyl-N-[4-nitro- 3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | A | 3B67 | 0.73 | |
4NP | 4-NITROPHENYL PHOSPHATE | A,B | 1D1Q | 0.72 | |
| 4NP | 4-NITROPHENYL PHOSPHATE | A,B | 1VE7 | 0.72 | |
| 4NP | 4-NITROPHENYL PHOSPHATE | A | 2I6P | 0.72 | |
NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 1ZWP | 0.76 | |
| NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 3E9X | 0.76 | |
| NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 2OTH | 0.76 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.72 | |
B66 | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl- 3-(4-nitrophenoxy)propyl]amino}- 2-(trifluoromethyl)benzonitrile | A | 3B66 | 0.71 | |