Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010605
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 |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.7 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.74 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | |
PYG | BENZENE-1,2,3-TRIOL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI4 | 0.71 | |
PYG | BENZENE-1,2,3-TRIOL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLE | 0.71 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.7 | |
IPH | PHENOL | A,B | 2OLD | 0.77 | |
IPH | PHENOL | A,B,C,D | 2PZV | 0.77 | |
IPH | PHENOL | A | 1LI2 | 0.77 | |
IPH | PHENOL | A | 2J9N | 0.77 | |
IPH | PHENOL | A,B,C,D | 2OMB | 0.77 | |
IPH | PHENOL | A | 1JHX | 0.77 | |
IPH | PHENOL | A,B,C,D | 2VE7 | 0.77 | |
IPH | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.77 | |
IPH | PHENOL | A,B,C,D | 1FOH | 0.77 | |
IPH | PHENOL | A | 1V03 | 0.77 | |
IPH | PHENOL | A,C,E,G,I,K | 5AIY | 0.77 | |
IPH | PHENOL | B,D,F,H,J,L | 1AIY | 0.77 | |
IPH | PHENOL | A,B | 1XU5 | 0.77 | |
IPH | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.77 | |
IPH | PHENOL | A,C,E,G,I,K | 4AIY | 0.77 | |
IPH | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.77 | |
IPH | PHENOL | A | 2AS3 | 0.77 | |
IPH | PHENOL | A,B,C,D | 1ZEG | 0.77 | |
IPH | PHENOL | A,B,C,D | 1PN0 | 0.77 | |
IPH | PHENOL | A,B,C,D | 1XW7 | 0.77 | |
IPH | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.77 | |
IPH | PHENOL | A,B,C,D | 1Q4V | 0.77 | |
IPH | PHENOL | B | 1AI7 | 0.77 | |
IPH | PHENOL | A | 1FJW | 0.77 | |
IPH | PHENOL | B,C,D | 1RWE | 0.77 | |
IPH | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.77 | |
IPH | PHENOL | B,C,D | 3GKY | 0.77 | |
IPH | PHENOL | A | 1JHY | 0.77 | |
IPH | PHENOL | A,C,E,G,I,K | 3AIY | 0.77 | |
IPH | PHENOL | A,B | 2OMN | 0.77 | |
IPH | PHENOL | A,C,E,G,I,K | 2AIY | 0.77 | |
IPH | PHENOL | A,B,D | 1MPJ | 0.77 | |
IPH | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.77 | |
IPH | PHENOL | B,C,D | 1LPH | 0.77 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.71 | |
BOP | 1-BROMO-4-METHOXYBENZENE | C,F | 1RHQ | 0.76 | |
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 | 0.75 | |
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 | 0.75 | |
CFA | (2,4-DICHLOROPHENOXY)ACETIC ACID | B,E | 2P1N | 0.72 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.81 | |
PCR | P-CRESOL | A | 1JHV | 0.71 | |
PCR | P-CRESOL | A | 1JHU | 0.71 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.71 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.75 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.75 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.75 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.75 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.75 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.75 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.75 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.75 | |
FP2 | 2-fluorophenol | A | 3CPO | 0.74 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.75 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.75 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.75 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.75 | |
2C2 | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IME | 0.71 | |
2C2 | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IMD | 0.71 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.77 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.71 | |
EPL | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.8 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.73 | |
GMN | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N- TRIETHYLETHANAMINIUM] | A,B | 1N5M | 0.71 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.72 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.71 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.78 | |
3FA | 3-FLUOROBENZENE-1,2-DIOL | A | 2AS4 | 0.71 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.75 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.75 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.76 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.76 | |
OA5 | 6-(2-phenoxyethoxy)-1,3,5-triazine- 2,4-diamine | A,B | 2W6Q | 0.71 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.79 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.72 | |
4HM | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.75 | |
IOL | 4-IODOPHENOL | A,B | 1EWA | 0.74 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.7 | |
CAQ | CATECHOL | B | 2BUY | 0.74 | |
CAQ | CATECHOL | A | 1KND | 0.74 | |
CAQ | CATECHOL | B | 2BUQ | 0.74 | |
CAQ | CATECHOL | A,B | 1DLT | 0.74 | |
CAQ | CATECHOL | A | 1XEP | 0.74 | |
CAQ | CATECHOL | A | 2PUM | 0.74 | |
440 | 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane- 1-thiol | A | 3B92 | 0.73 | |
EPN | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.74 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.87 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.71 | |
RCO | RESORCINOL | A,B,C,E,F,G, H,I,J,K | 2OLY | 0.75 | |
RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y | 2OM1 | 0.75 | |
RCO | RESORCINOL | A,B,C,E,G,H, I,K | 2OLZ | 0.75 | |
RCO | RESORCINOL | A,B,C,D,E,F | 2OMH | 0.75 | |
RCO | RESORCINOL | A,B,C,E,G,H, I,J,K | 2OMI | 0.75 | |
RCO | RESORCINOL | A,B,C,D,E,G, I,J,K | 1EVR | 0.75 | |
RCO | RESORCINOL | A,C,E,G,I,K,M | 1QIZ | 0.75 | |
RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y | 2OM0 | 0.75 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.94 | |
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 | |
4HC | 4-HYDROXY-2H-CHROMEN-2-ONE | A,B | 1V5Y | 0.75 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.71 | |
HPS | PHENYL DIHYDROGEN PHOSPHATE | A | 1O4O | 0.71 | |
YR3 | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.74 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.75 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.7 | |
PSY | phenyl ethenesulfonate | A | 3BM8 | 0.71 | |
PSY | phenyl ethenesulfonate | A | 3BLT | 0.71 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.81 | |
258 | (2-chloroethoxy)benzene | X | 2RAY | 0.87 | |
FPN | 4-FLUOROPHENOL | A,B | 1XVD | 0.74 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.75 | |
LJ4 | 2,6-dibromo-4-phenoxyphenol | A,B | 3CN3 | 0.77 | |
FFP | 2,6-DIFLUOROPHENOL | A | 2INX | 0.72 |