Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021015
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 |
258 | (2-chloroethoxy)benzene | X | 2RAY | 0.84 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.77 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | |
IPH | PHENOL | A,B | 2OLD | 0.72 | |
IPH | PHENOL | A,B,C,D | 2PZV | 0.72 | |
IPH | PHENOL | A | 1LI2 | 0.72 | |
IPH | PHENOL | A | 2J9N | 0.72 | |
IPH | PHENOL | A,B,C,D | 2OMB | 0.72 | |
IPH | PHENOL | A | 1JHX | 0.72 | |
IPH | PHENOL | A,B,C,D | 2VE7 | 0.72 | |
IPH | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.72 | |
IPH | PHENOL | A,B,C,D | 1FOH | 0.72 | |
IPH | PHENOL | A | 1V03 | 0.72 | |
IPH | PHENOL | A,C,E,G,I,K | 5AIY | 0.72 | |
IPH | PHENOL | B,D,F,H,J,L | 1AIY | 0.72 | |
IPH | PHENOL | A,B | 1XU5 | 0.72 | |
IPH | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.72 | |
IPH | PHENOL | A,C,E,G,I,K | 4AIY | 0.72 | |
IPH | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.72 | |
IPH | PHENOL | A | 2AS3 | 0.72 | |
IPH | PHENOL | A,B,C,D | 1ZEG | 0.72 | |
IPH | PHENOL | A,B,C,D | 1PN0 | 0.72 | |
IPH | PHENOL | A,B,C,D | 1XW7 | 0.72 | |
IPH | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.72 | |
IPH | PHENOL | A,B,C,D | 1Q4V | 0.72 | |
IPH | PHENOL | B | 1AI7 | 0.72 | |
IPH | PHENOL | A | 1FJW | 0.72 | |
IPH | PHENOL | B,C,D | 1RWE | 0.72 | |
IPH | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.72 | |
IPH | PHENOL | B,C,D | 3GKY | 0.72 | |
IPH | PHENOL | A | 1JHY | 0.72 | |
IPH | PHENOL | A,C,E,G,I,K | 3AIY | 0.72 | |
IPH | PHENOL | A,B | 2OMN | 0.72 | |
IPH | PHENOL | A,C,E,G,I,K | 2AIY | 0.72 | |
IPH | PHENOL | A,B,D | 1MPJ | 0.72 | |
IPH | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.72 | |
IPH | PHENOL | B,C,D | 1LPH | 0.72 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.73 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.7 | |
LJ4 | 2,6-dibromo-4-phenoxyphenol | A,B | 3CN3 | 0.76 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.75 | |
FP2 | 2-fluorophenol | A | 3CPO | 0.75 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.77 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.71 | |
FFP | 2,6-DIFLUOROPHENOL | A | 2INX | 0.75 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.77 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.71 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.73 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.73 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.8 | |
COU | COUMARIN | A | 3CRB | 0.72 | |
COU | COUMARIN | A | 2PMJ | 0.72 | |
COU | COUMARIN | A | 2H90 | 0.72 | |
COU | COUMARIN | A,B,C,D | 1Z10 | 0.72 | |
COU | COUMARIN | A | 2PWB | 0.72 | |
EPL | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.75 | |
FPN | 4-FLUOROPHENOL | A,B | 1XVD | 0.75 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.73 | |
BOP | 1-BROMO-4-METHOXYBENZENE | C,F | 1RHQ | 0.75 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.83 | |
3FA | 3-FLUOROBENZENE-1,2-DIOL | A | 2AS4 | 0.7 |