Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03129437
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 |
3NT![]() | 3-NITROTOLUENE | A,B | 2BMR | 0.74 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2HMO | 0.74 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B | 1JOH | 0.71 | ![]() |
PHL![]() | L-PHENYLALANINOL | I | 3APR | 0.71 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1DLZ | 0.71 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1IH9 | 0.71 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1OB4 | 0.71 | ![]() |
PHL![]() | L-PHENYLALANINOL | I | 2ER6 | 0.71 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1R9U | 0.71 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1OB7 | 0.71 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B | 1OB6 | 0.71 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B,C | 1AMT | 0.71 | ![]() |
NTD![]() | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.7 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1RSM | 0.7 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GVY | 0.7 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GW1 | 0.7 | ![]() |
RPN![]() | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.85 | ![]() |
RPN![]() | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.85 | ![]() |
RPN![]() | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.85 | ![]() |
4NM![]() | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.72 | ![]() |
PDH![]() | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.71 | ![]() |
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 | ![]() |
NCR![]() | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.71 | ![]() |
BRX![]() | BROMAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.74 | ![]() |
AAH![]() | H | 1KEL | 0.71 | ![]() | |
AAH![]() | B,H | 1FL6 | 0.71 | ![]() | |
PPN![]() | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.8 | ![]() |
SNO![]() | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.76 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1K01 | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1NJI | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 2XAT | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 4CLA | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1CLA | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B,C,D,E,F | 1USQ | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKJ | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B | 2UXP | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1QHS | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1QHY | 0.72 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 3CLA | 0.72 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.79 | ![]() |
NPB![]() | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.7 | ![]() |
PRQ![]() | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.78 | ![]() |
RNO![]() | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.76 | ![]() |
TA2![]() | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.73 | ![]() |
MNP![]() | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.77 | ![]() |
PIR![]() | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.71 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.76 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.76 | ![]() |
SOA![]() | ISATOIC ANHYDRIDE | A | 1BIO | 0.75 | ![]() |
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 | 0.74 | ![]() |
TNL![]() | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.75 | ![]() |
DNT![]() | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.73 | ![]() |
BPN![]() | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.82 | ![]() |
DOF![]() | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.73 | ![]() |
CLC![]() | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.77 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2ADP | 0.71 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 3DIV | 0.71 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2H5U | 0.71 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 1K4Q | 0.71 | ![]() |
NIY![]() | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.71 | ![]() |
HNT![]() | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.78 | ![]() |