Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00585419
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 |
GN8![]() | (Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)- 2-THIOXOTHIAZOLIDIN-4-ONE | A,B,C,D,E,F | 2P6F | 0.81 | ![]() |
BRX![]() | BROMAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.72 | ![]() |
OPB![]() | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 1Q7A | 0.7 | ![]() |
OPB![]() | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A,B | 2BXB | 0.7 | ![]() |
OPB![]() | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 2BXO | 0.7 | ![]() |
TCC![]() | 2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL | A,B | 1NHW | 0.72 | ![]() |
DZ1![]() | N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide | A,B | 3ESN | 0.71 | ![]() |
ST1![]() | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A,B | 1IVD | 0.78 | ![]() |
ST1![]() | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A | 1IVB | 0.78 | ![]() |
BIA![]() | 1-(3,4,DIHYDROXY-5-NITROPHENYL)- 3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN- 1-YL}PROPAN-1-ONE | A | 1H1D | 0.71 | ![]() |
NIP![]() | 4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION | H | 1A6W | 0.77 | ![]() |
194![]() | 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6P | 0.74 | ![]() |
TY2![]() | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.72 | ![]() |
3GV![]() | (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A,B | 3GVB | 0.71 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2ADP | 0.77 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 3DIV | 0.77 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2H5U | 0.77 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 1K4Q | 0.77 | ![]() |
NIY![]() | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.77 | ![]() |
LVS![]() | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL- LEUCINYL-LEUCINYL-VINYLSULFONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X | 1KYI | 0.7 | ![]() |
LVS![]() | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL- LEUCINYL-LEUCINYL-VINYLSULFONE | A,B,C,G,H,I, L,M,N | 1OFI | 0.7 | ![]() |
T1D![]() | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.7 | ![]() |
FEN![]() | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.79 | ![]() |
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 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.7 | ![]() |
135![]() | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.75 | ![]() |
LI7![]() | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.74 | ![]() |
NPA![]() | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.74 | ![]() |
195![]() | 4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6Q | 0.7 | ![]() |
AZY![]() | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.71 | ![]() |
DMC![]() | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.71 | ![]() |
3FT![]() | A | 2BXV | 0.71 | ![]() | |
BHM![]() | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.71 | ![]() |
HFT![]() | HYDROXYFLUTAMIDE | A | 2AX6 | 0.73 | ![]() |
NPC![]() | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.8 | ![]() |
LJ5![]() | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.75 | ![]() |
P28![]() | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | A,B | 2ROY | 0.71 | ![]() |
BC6![]() | (4E,8S,9R,10E,12S,13R,14S,16R)- 13,20-dihydroxy-14-methoxy-4,8,10,12,16- pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa- 1(22),4,10,18,20-pentaen-9-yl carbamate | A,B,C,D | 2VW5 | 0.71 | ![]() |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.71 | ![]() |
2AC![]() | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.75 | ![]() |
2AC![]() | 2-AMINO-P-CRESOL | A | 1L4M | 0.75 | ![]() |
ANX![]() | 2,5-DINITROPHENOL | A,B,C,D,E,F, G,H | 2BFG | 0.72 | ![]() |
NCR![]() | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.78 | ![]() |
CLC![]() | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.74 | ![]() |
ST2![]() | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID | A,B | 1IVC | 0.74 | ![]() |
TNF![]() | PICRIC ACID | A | 1GVS | 0.7 | ![]() |
TNF![]() | PICRIC ACID | X | 1VYP | 0.7 | ![]() |
TNF![]() | PICRIC ACID | A | 1VYR | 0.7 | ![]() |
TNF![]() | PICRIC ACID | X | 1VYS | 0.7 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.77 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.77 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.77 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.77 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.77 | ![]() |
B68![]() | (2S)-3-[4-(acetylamino)phenoxy]- 2-hydroxy-2-methyl-N-[4-nitro-3- (trifluoromethyl)phenyl]propanamide | A | 3B68 | 0.75 | ![]() |
LI6![]() | 3,4-DIHYDROXY-1-METHYLQUINOLIN- 2(1H)-ONE | A | 1YXV | 0.71 | ![]() |
B67![]() | (2S)-2-hydroxy-2-methyl-N-[4-nitro- 3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | A | 3B67 | 0.74 | ![]() |
DNF![]() | 2,4-DINITROPHENOL | A,B | 2B16 | 0.72 | ![]() |
DNF![]() | 2,4-DINITROPHENOL | H,J,L,N | 1OAU | 0.72 | ![]() |
DNF![]() | 2,4-DINITROPHENOL | A | 1GVO | 0.72 | ![]() |
DNF![]() | 2,4-DINITROPHENOL | A,B | 2B15 | 0.72 | ![]() |
DNF![]() | 2,4-DINITROPHENOL | A,B | 2B14 | 0.72 | ![]() |
ILH![]() | A | 2FQI | 0.7 | ![]() | |
CLM![]() | CHLORAMPHENICOL | A | 1K01 | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1NJI | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 2XAT | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 4CLA | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1CLA | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B,C,D,E,F | 1USQ | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B,C,D,E,F | 2JKJ | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A,B | 2UXP | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1QHS | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 1QHY | 0.71 | ![]() |
CLM![]() | CHLORAMPHENICOL | A | 3CLA | 0.71 | ![]() |
PGG![]() | PARA-NITROPHENYLPHOSPHONOBUTANOYL- GLYCINE | L | 1YEI | 0.7 | ![]() |
DNT![]() | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.74 | ![]() |
C00![]() | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BYX | 0.73 | ![]() |
C00![]() | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BZ0 | 0.73 | ![]() |
FHM![]() | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX8 | 0.75 | ![]() |
FHM![]() | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX7 | 0.75 | ![]() |
FHM![]() | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AXA | 0.75 | ![]() |
BRS![]() | 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6- DINITRO-PHENOL | A,B,D,M,N,O,P | 1KFY | 0.72 | ![]() |