Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010739
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 | 0.72 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.7 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.7 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.7 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.74 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.74 | |
RCO | RESORCINOL | A,B,C,E,F,G, H,I,J,K | 2OLY | 0.82 | |
RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y | 2OM1 | 0.82 | |
RCO | RESORCINOL | A,B,C,E,G,H, I,K | 2OLZ | 0.82 | |
RCO | RESORCINOL | A,B,C,D,E,F | 2OMH | 0.82 | |
RCO | RESORCINOL | A,B,C,E,G,H, I,J,K | 2OMI | 0.82 | |
RCO | RESORCINOL | A,B,C,D,E,G, I,J,K | 1EVR | 0.82 | |
RCO | RESORCINOL | A,C,E,G,I,K,M | 1QIZ | 0.82 | |
RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y | 2OM0 | 0.82 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.86 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.78 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.73 | |
TH0 | 4-MERCAPTOBENZENE-1,3-DIOL | A | 2OSF | 0.74 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.72 | |
IPH | PHENOL | A,B | 2OLD | 0.74 | |
IPH | PHENOL | A,B,C,D | 2PZV | 0.74 | |
IPH | PHENOL | A | 1LI2 | 0.74 | |
IPH | PHENOL | A | 2J9N | 0.74 | |
IPH | PHENOL | A,B,C,D | 2OMB | 0.74 | |
IPH | PHENOL | A | 1JHX | 0.74 | |
IPH | PHENOL | A,B,C,D | 2VE7 | 0.74 | |
IPH | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.74 | |
IPH | PHENOL | A,B,C,D | 1FOH | 0.74 | |
IPH | PHENOL | A | 1V03 | 0.74 | |
IPH | PHENOL | A,C,E,G,I,K | 5AIY | 0.74 | |
IPH | PHENOL | B,D,F,H,J,L | 1AIY | 0.74 | |
IPH | PHENOL | A,B | 1XU5 | 0.74 | |
IPH | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.74 | |
IPH | PHENOL | A,C,E,G,I,K | 4AIY | 0.74 | |
IPH | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.74 | |
IPH | PHENOL | A | 2AS3 | 0.74 | |
IPH | PHENOL | A,B,C,D | 1ZEG | 0.74 | |
IPH | PHENOL | A,B,C,D | 1PN0 | 0.74 | |
IPH | PHENOL | A,B,C,D | 1XW7 | 0.74 | |
IPH | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.74 | |
IPH | PHENOL | A,B,C,D | 1Q4V | 0.74 | |
IPH | PHENOL | B | 1AI7 | 0.74 | |
IPH | PHENOL | A | 1FJW | 0.74 | |
IPH | PHENOL | B,C,D | 1RWE | 0.74 | |
IPH | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.74 | |
IPH | PHENOL | B,C,D | 3GKY | 0.74 | |
IPH | PHENOL | A | 1JHY | 0.74 | |
IPH | PHENOL | A,C,E,G,I,K | 3AIY | 0.74 | |
IPH | PHENOL | A,B | 2OMN | 0.74 | |
IPH | PHENOL | A,C,E,G,I,K | 2AIY | 0.74 | |
IPH | PHENOL | A,B,D | 1MPJ | 0.74 | |
IPH | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.74 | |
IPH | PHENOL | B,C,D | 1LPH | 0.74 | |
459 | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.7 | |
CAQ | CATECHOL | B | 2BUY | 0.71 | |
CAQ | CATECHOL | A | 1KND | 0.71 | |
CAQ | CATECHOL | B | 2BUQ | 0.71 | |
CAQ | CATECHOL | A,B | 1DLT | 0.71 | |
CAQ | CATECHOL | A | 1XEP | 0.71 | |
CAQ | CATECHOL | A | 2PUM | 0.71 | |
HXP | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.71 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.75 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.7 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.7 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.7 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.84 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.71 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.75 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.77 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.7 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.7 | |
LJ4 | 2,6-dibromo-4-phenoxyphenol | A,B | 3CN3 | 0.75 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.75 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.77 | |
YZ9 | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.77 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.7 | |
4MU | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.78 | |
BOP | 1-BROMO-4-METHOXYBENZENE | C,F | 1RHQ | 0.72 | |
STL | RESVERATROL | A,B | 3CKL | 0.73 | |
STL | RESVERATROL | A,B,C,D | 1U0W | 0.73 | |
STL | RESVERATROL | A | 1CGZ | 0.73 | |
STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.73 | |
STL | RESVERATROL | A | 1Z1F | 0.73 | |
STL | RESVERATROL | A | 1DVS | 0.73 | |
STL | RESVERATROL | A,B | 1SG0 | 0.73 | |
FPN | 4-FLUOROPHENOL | A,B | 1XVD | 0.72 | |
4HM | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.84 | |
258 | (2-chloroethoxy)benzene | X | 2RAY | 0.8 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.71 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.71 | |
PCR | P-CRESOL | A | 1JHV | 0.7 | |
PCR | P-CRESOL | A | 1JHU | 0.7 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.7 | |
PYG | BENZENE-1,2,3-TRIOL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI4 | 0.77 | |
PYG | BENZENE-1,2,3-TRIOL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLE | 0.77 | |
HOM | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.76 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.72 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.72 | |
WST | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 9-OL | A,B | 2POG | 0.76 | |
EPL | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.75 | |
4HC | 4-HYDROXY-2H-CHROMEN-2-ONE | A,B | 1V5Y | 0.73 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.73 | |
IOL | 4-IODOPHENOL | A,B | 1EWA | 0.72 | |
GMN | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N- TRIETHYLETHANAMINIUM] | A,B | 1N5M | 0.77 | |
689 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.7 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.71 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.71 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.71 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.71 | |
458 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.72 | |
BTT | BENZENE-1,2,4,5-TETROL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI6 | 0.73 | |
BTT | BENZENE-1,2,4,5-TETROL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLF | 0.73 |