Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007042
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 |
FP2 | 2-fluorophenol | A | 3CPO | 0.77 | |
HTS | 2-MERCAPTOPHENOL | A | 2OSM | 0.72 | |
NE2 | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.78 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.75 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.75 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.72 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.73 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.73 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.73 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.73 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.73 | |
RCO | RESORCINOL | A,B,C,E,F,G, H,I,J,K | 2OLY | 0.74 | |
RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y | 2OM1 | 0.74 | |
RCO | RESORCINOL | A,B,C,E,G,H, I,K | 2OLZ | 0.74 | |
RCO | RESORCINOL | A,B,C,D,E,F | 2OMH | 0.74 | |
RCO | RESORCINOL | A,B,C,E,G,H, I,J,K | 2OMI | 0.74 | |
RCO | RESORCINOL | A,B,C,D,E,G, I,J,K | 1EVR | 0.74 | |
RCO | RESORCINOL | A,C,E,G,I,K,M | 1QIZ | 0.74 | |
RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y | 2OM0 | 0.74 | |
PCR | P-CRESOL | A | 1JHV | 0.72 | |
PCR | P-CRESOL | A | 1JHU | 0.72 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.72 | |
FFP | 2,6-DIFLUOROPHENOL | A | 2INX | 0.75 | |
PYG | BENZENE-1,2,3-TRIOL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI4 | 0.7 | |
PYG | BENZENE-1,2,3-TRIOL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLE | 0.7 | |
CAQ | CATECHOL | B | 2BUY | 0.75 | |
CAQ | CATECHOL | A | 1KND | 0.75 | |
CAQ | CATECHOL | B | 2BUQ | 0.75 | |
CAQ | CATECHOL | A,B | 1DLT | 0.75 | |
CAQ | CATECHOL | A | 1XEP | 0.75 | |
CAQ | CATECHOL | A | 2PUM | 0.75 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.7 | |
NE1 | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.78 | |
2CH | 2-CHLOROPHENOL | A | 1WBO | 0.94 | |
PCI | PENTACHLOROPHENOL | A,B | 2GWH | 0.83 | |
PCI | PENTACHLOROPHENOL | A,B,C | 1Y5N | 0.83 | |
PCI | PENTACHLOROPHENOL | A,B,C | 1Y4Z | 0.83 | |
PCI | PENTACHLOROPHENOL | A,B,C,E,F,G | 2VPY | 0.83 | |
FPN | 4-FLUOROPHENOL | A,B | 1XVD | 0.77 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.7 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.7 | |
3FA | 3-FLUOROBENZENE-1,2-DIOL | A | 2AS4 | 0.72 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.7 | |
3CH | 3-CHLOROPHENOL | A | 1LI3 | 0.92 | |
BML | 4-BROMOPHENOL | A,B,E | 3DHH | 0.72 | |
BML | 4-BROMOPHENOL | A,B | 1XU3 | 0.72 | |
BML | 4-BROMOPHENOL | A,B | 1T0S | 0.72 | |
IOL | 4-IODOPHENOL | A,B | 1EWA | 0.77 | |
TC7 | 2,4,5-trichlorophenol | A | 2VCE | 0.93 | |
TCL | TRICLOSAN | A,B,C,D | 2PD3 | 0.74 | |
TCL | TRICLOSAN | A,B | 1P45 | 0.74 | |
TCL | TRICLOSAN | A,B,C,D,E,F | 2B35 | 0.74 | |
TCL | TRICLOSAN | A,B | 1D8A | 0.74 | |
TCL | TRICLOSAN | A,B | 1C14 | 0.74 | |
TCL | TRICLOSAN | A,B,C,D | 2QIO | 0.74 | |
TCL | TRICLOSAN | A,B | 1NHG | 0.74 | |
TCL | TRICLOSAN | A | 1D7O | 0.74 | |
TCL | TRICLOSAN | A,B,C,D | 2O2Y | 0.74 | |
TCL | TRICLOSAN | A,B | 1UH5 | 0.74 | |
TCL | TRICLOSAN | A,B | 2O2S | 0.74 | |
TCL | TRICLOSAN | A,B,C,D | 1QG6 | 0.74 | |
TCL | TRICLOSAN | A,B,C,D,E,F, G,H | 1QSG | 0.74 | |
IPH | PHENOL | A,B | 2OLD | 0.8 | |
IPH | PHENOL | A,B,C,D | 2PZV | 0.8 | |
IPH | PHENOL | A | 1LI2 | 0.8 | |
IPH | PHENOL | A | 2J9N | 0.8 | |
IPH | PHENOL | A,B,C,D | 2OMB | 0.8 | |
IPH | PHENOL | A | 1JHX | 0.8 | |
IPH | PHENOL | A,B,C,D | 2VE7 | 0.8 | |
IPH | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.8 | |
IPH | PHENOL | A,B,C,D | 1FOH | 0.8 | |
IPH | PHENOL | A | 1V03 | 0.8 | |
IPH | PHENOL | A,C,E,G,I,K | 5AIY | 0.8 | |
IPH | PHENOL | B,D,F,H,J,L | 1AIY | 0.8 | |
IPH | PHENOL | A,B | 1XU5 | 0.8 | |
IPH | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.8 | |
IPH | PHENOL | A,C,E,G,I,K | 4AIY | 0.8 | |
IPH | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.8 | |
IPH | PHENOL | A | 2AS3 | 0.8 | |
IPH | PHENOL | A,B,C,D | 1ZEG | 0.8 | |
IPH | PHENOL | A,B,C,D | 1PN0 | 0.8 | |
IPH | PHENOL | A,B,C,D | 1XW7 | 0.8 | |
IPH | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.8 | |
IPH | PHENOL | A,B,C,D | 1Q4V | 0.8 | |
IPH | PHENOL | B | 1AI7 | 0.8 | |
IPH | PHENOL | A | 1FJW | 0.8 | |
IPH | PHENOL | B,C,D | 1RWE | 0.8 | |
IPH | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.8 | |
IPH | PHENOL | B,C,D | 3GKY | 0.8 | |
IPH | PHENOL | A | 1JHY | 0.8 | |
IPH | PHENOL | A,C,E,G,I,K | 3AIY | 0.8 | |
IPH | PHENOL | A,B | 2OMN | 0.8 | |
IPH | PHENOL | A,C,E,G,I,K | 2AIY | 0.8 | |
IPH | PHENOL | A,B,D | 1MPJ | 0.8 | |
IPH | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.8 | |
IPH | PHENOL | B,C,D | 1LPH | 0.8 | |
2BR | 2-BROMOPHENOL | A,B,C,D | 2A9W | 0.72 | |
43M | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.79 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.71 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.71 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.71 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.71 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.71 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.71 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.71 |