Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051803
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 |
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 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.73 | ![]() |
DR6![]() | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.71 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.75 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.72 | ![]() |
258![]() | (2-chloroethoxy)benzene | X | 2RAY | 0.73 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.73 | ![]() |
268![]() | 2-phenoxyethanol | A | 2RBR | 0.72 | ![]() |
DBA![]() | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | ![]() |
FP2![]() | 2-fluorophenol | A | 3CPO | 0.7 | ![]() |
OXN![]() | OXTOXYNOL-10 | A | 1IKT | 0.72 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2Q32 | 0.72 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 1UEH | 0.72 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2D4Q | 0.72 | ![]() |
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 | 0.72 | ![]() |
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 | 0.72 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.77 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.77 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.77 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.77 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.77 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.77 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.77 | ![]() |
RSO![]() | R-STYRENE OXIDE | A,B | 1PWZ | 0.72 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.76 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.72 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.7 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.7 | ![]() |
TF5![]() | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.77 | ![]() |
BR3![]() | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.72 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.7 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.75 | ![]() |
TOM![]() | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.74 | ![]() |
8PP![]() | 2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL | A,B,C,D | 1Y0G | 0.71 | ![]() |
4BR![]() | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.79 | ![]() |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.71 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.72 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.72 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.72 | ![]() |
FPN![]() | 4-FLUOROPHENOL | A,B | 1XVD | 0.7 | ![]() |
505![]() | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.71 | ![]() |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.8 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.8 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.8 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.8 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.8 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.8 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.8 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.8 | ![]() |
COU![]() | COUMARIN | A | 3CRB | 0.73 | ![]() |
COU![]() | COUMARIN | A | 2PMJ | 0.73 | ![]() |
COU![]() | COUMARIN | A | 2H90 | 0.73 | ![]() |
COU![]() | COUMARIN | A,B,C,D | 1Z10 | 0.73 | ![]() |
COU![]() | COUMARIN | A | 2PWB | 0.73 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.76 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.76 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.7 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.7 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.7 | ![]() |
HFL![]() | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.71 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.78 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.78 | ![]() |
MSB![]() | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.72 | ![]() |
MSB![]() | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.72 | ![]() |
FFP![]() | 2,6-DIFLUOROPHENOL | A | 2INX | 0.7 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.73 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.74 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.74 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.74 | ![]() |
EPL![]() | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.73 | ![]() |
BOP![]() | 1-BROMO-4-METHOXYBENZENE | C,F | 1RHQ | 0.74 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.71 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.74 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.73 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.73 | ![]() |
ZZ1![]() | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.73 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.72 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.78 | ![]() |