Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03459670
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 |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.71 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.72 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.72 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.72 | |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.89 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.71 | |
NPO | P-NITROPHENOL | A,B | 1Z44 | 0.7 | |
NPO | P-NITROPHENOL | X | 2ZYW | 0.7 | |
NPO | P-NITROPHENOL | H,L | 1YEK | 0.7 | |
NPO | P-NITROPHENOL | A,C,E,G | 43CA | 0.7 | |
NPO | P-NITROPHENOL | A | 1LS6 | 0.7 | |
NPO | P-NITROPHENOL | X | 2ZVP | 0.7 | |
NPO | P-NITROPHENOL | A,B | 2I10 | 0.7 | |
NPO | P-NITROPHENOL | A | 1VAH | 0.7 | |
NPO | P-NITROPHENOL | A,B | 3ETT | 0.7 | |
NPO | P-NITROPHENOL | A,B | 2D20 | 0.7 | |
NPO | P-NITROPHENOL | X | 2ZYV | 0.7 | |
MAZ | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.82 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.71 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.89 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.72 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.8 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.8 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.8 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.74 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.86 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.86 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.86 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.71 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.71 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.73 | |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.73 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.83 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.7 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.74 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.71 | |
EPN | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.72 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.76 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.76 |