Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02313773
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 |
PPN![]() | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.71 | ![]() |
MNB![]() | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.72 | ![]() |
MNB![]() | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.72 | ![]() |
MNB![]() | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.72 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.72 | ![]() |
TNL![]() | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1K01 | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1NJI | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 2XAT | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 4CLA | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1CLA | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B,C,D,E,F | 1USQ | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKJ | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B | 2UXP | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1QHS | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1QHY | 0.73 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 3CLA | 0.73 | ![]() |
NCR![]() | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.79 | ![]() |
NTD![]() | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.78 | ![]() |
4NM![]() | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.72 | ![]() |
DNT![]() | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.76 | ![]() |
ANX![]() | 2,5-DINITROPHENOL | A,B,C,D,E,F, G,H | 2BFG | 0.71 | ![]() |
NPA![]() | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.72 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2BMR | 0.75 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2HMO | 0.75 | ![]() |
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 | ![]() |
CFQ![]() | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.88 | ![]() |
CFQ![]() | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.88 | ![]() |
CFQ![]() | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.88 | ![]() |
TA2![]() | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.71 | ![]() |
4NS![]() | 4-nitrophenyl sulfate | X | 2ZYU | 0.71 | ![]() |
NAF![]() | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.75 | ![]() |
NAF![]() | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.75 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2ADP | 0.7 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 3DIV | 0.7 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2H5U | 0.7 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 1K4Q | 0.7 | ![]() |
NIY![]() | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.7 | ![]() |
BRX![]() | BROMAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.75 | ![]() |
1JZ![]() | 1-[4-(hydroxymethyl)phenyl]guanidine | B | 3FVF | 0.7 | ![]() |
CLC![]() | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.79 | ![]() |
HNT![]() | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.71 | ![]() |
RNO![]() | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.84 | ![]() |
SOA![]() | ISATOIC ANHYDRIDE | A | 1BIO | 0.84 | ![]() |
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 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.72 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.72 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.72 | ![]() |
RPN![]() | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.9 | ![]() |
RPN![]() | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.9 | ![]() |
RPN![]() | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.9 | ![]() |
4NB![]() | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.74 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.71 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.71 | ![]() |
SNO![]() | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.84 | ![]() |
NPO![]() | P-NITROPHENOL | A,B | 1Z44 | 0.76 | ![]() |
NPO![]() | P-NITROPHENOL | X | 2ZYW | 0.76 | ![]() |
NPO![]() | P-NITROPHENOL | H,L | 1YEK | 0.76 | ![]() |
NPO![]() | P-NITROPHENOL | A,C,E,G | 43CA | 0.76 | ![]() |
NPO![]() | P-NITROPHENOL | A | 1LS6 | 0.76 | ![]() |
NPO![]() | P-NITROPHENOL | X | 2ZVP | 0.76 | ![]() |
NPO![]() | P-NITROPHENOL | A,B | 2I10 | 0.76 | ![]() |
NPO![]() | P-NITROPHENOL | A | 1VAH | 0.76 | ![]() |
NPO![]() | P-NITROPHENOL | A,B | 3ETT | 0.76 | ![]() |
NPO![]() | P-NITROPHENOL | A,B | 2D20 | 0.76 | ![]() |
NPO![]() | P-NITROPHENOL | X | 2ZYV | 0.76 | ![]() |
MAZ![]() | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.73 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.77 | ![]() |
2AC![]() | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.72 | ![]() |
2AC![]() | 2-AMINO-P-CRESOL | A | 1L4M | 0.72 | ![]() |
EPN![]() | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.72 | ![]() |
BPN![]() | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.9 | ![]() |
MNP![]() | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.75 | ![]() |
PRQ![]() | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.71 | ![]() |