Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01225938
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 |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.71 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.73 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.73 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.76 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.76 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.76 | |
1JZ | 1-[4-(hydroxymethyl)phenyl]guanidine | B | 3FVF | 0.75 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.72 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.71 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.84 | |
CLM | CHLORAMPHENICOL | A | 1K01 | 0.86 | |
CLM | CHLORAMPHENICOL | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1NJI | 0.86 | |
CLM | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.86 | |
CLM | CHLORAMPHENICOL | A | 2XAT | 0.86 | |
CLM | CHLORAMPHENICOL | A | 4CLA | 0.86 | |
CLM | CHLORAMPHENICOL | A | 1CLA | 0.86 | |
CLM | CHLORAMPHENICOL | A,B,C,D,E,F | 1USQ | 0.86 | |
CLM | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKJ | 0.86 | |
CLM | CHLORAMPHENICOL | A,B | 2UXP | 0.86 | |
CLM | CHLORAMPHENICOL | A | 1QHS | 0.86 | |
CLM | CHLORAMPHENICOL | A | 1QHY | 0.86 | |
CLM | CHLORAMPHENICOL | A | 3CLA | 0.86 | |
PNB | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | A,L | 1YED | 0.78 | |
PNB | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | H,L | 1YEC | 0.78 | |
PNB | 4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE | H | 1YEE | 0.78 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.71 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.81 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.71 | |
NCH | P-NITROPHENYL-PHOSPHOCHOLINE | L | 1DL7 | 0.7 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.79 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.73 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.73 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.76 | |
CL8 | CHLORAMPHENICOL SUCCINATE | A,B,C,D,E,F | 2JKN | 0.78 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.73 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.73 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.77 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.72 | |
M09 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane- 8,9,10-triol | A | 2QRM | 0.73 | |
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 | |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.79 | |
CLK | ALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOL | A | 1GRQ | 0.8 | |
BRX | BROMAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.88 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.92 | |
GNB | S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE | A,B,C,D | 1QIP | 0.71 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.71 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.71 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.75 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.8 | |
NPC | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.71 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.71 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.7 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.71 | |
CPD | [1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL- UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)- BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO- ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)- PROPYL ESTER | H | 2DQT | 0.7 | |
CPD | [1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL- UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)- BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO- ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)- PROPYL ESTER | H | 2DQU | 0.7 | |
TAA | [4-(2,2,2-TRIFLUORO-ACETYLAMINO)- BENZYL]-PHOSPHONIC ACID MONO-[2- (2,2-DICHLORO-1-HYDROXY-ETHYLAMINO)- 3-HYDROXY-1-(4-NITRO-PHENYL)-PROPYL] ESTER | A,B,C,D | 1CT8 | 0.73 |