Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02375922
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 |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.75 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.73 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.73 | ![]() |
43M![]() | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.84 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.74 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.77 | ![]() |
178![]() | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.74 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.71 | ![]() |
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 | 0.77 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.73 | ![]() |
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 | ![]() |
4NA![]() | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.7 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.74 | ![]() |
NE2![]() | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.74 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.77 | ![]() |
269![]() | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.71 | ![]() |
BP3![]() | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.77 | ![]() |
2CH![]() | 2-CHLOROPHENOL | A | 1WBO | 0.75 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.74 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.74 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.74 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.74 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.75 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.75 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.75 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.75 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.75 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.79 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.71 | ![]() |
3CH![]() | 3-CHLOROPHENOL | A | 1LI3 | 0.77 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.72 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.72 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.75 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.77 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.77 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.77 | ![]() |
BP6![]() | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.76 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.77 | ![]() |
HC4![]() | A | 1TS6 | 0.71 | ![]() | |
HC4![]() | A | 3PHY | 0.71 | ![]() | |
HC4![]() | A | 3PYP | 0.71 | ![]() | |
HC4![]() | A | 1T1C | 0.71 | ![]() | |
HC4![]() | A | 1OT6 | 0.71 | ![]() | |
HC4![]() | A | 1TS0 | 0.71 | ![]() | |
HC4![]() | A | 1T1A | 0.71 | ![]() | |
HC4![]() | A | 2PYP | 0.71 | ![]() | |
HC4![]() | A | 2ZOI | 0.71 | ![]() | |
HC4![]() | A | 1OTI | 0.71 | ![]() | |
HC4![]() | A | 1XFQ | 0.71 | ![]() | |
HC4![]() | A | 2D01 | 0.71 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7B | 0.71 | ![]() | |
HC4![]() | A | 2ZOH | 0.71 | ![]() | |
HC4![]() | A | 1GSW | 0.71 | ![]() | |
HC4![]() | A | 2QJ7 | 0.71 | ![]() | |
HC4![]() | A | 1F9I | 0.71 | ![]() | |
HC4![]() | X | 1UWP | 0.71 | ![]() | |
HC4![]() | A | 2PHY | 0.71 | ![]() | |
HC4![]() | A | 1T1B | 0.71 | ![]() | |
HC4![]() | A | 1F98 | 0.71 | ![]() | |
HC4![]() | A | 1T19 | 0.71 | ![]() | |
HC4![]() | X | 1UWN | 0.71 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7F | 0.71 | ![]() | |
HC4![]() | A | 1UGU | 0.71 | ![]() | |
HC4![]() | A | 1TS8 | 0.71 | ![]() | |
HC4![]() | A,B | 1OTD | 0.71 | ![]() | |
HC4![]() | A | 1OTE | 0.71 | ![]() | |
HC4![]() | A | 1GSX | 0.71 | ![]() | |
HC4![]() | A | 1TS7 | 0.71 | ![]() | |
HC4![]() | A | 2PYR | 0.71 | ![]() | |
HC4![]() | A | 1S4S | 0.71 | ![]() | |
HC4![]() | A | 1GSV | 0.71 | ![]() | |
HC4![]() | A | 2I9V | 0.71 | ![]() | |
HC4![]() | A | 2QWS | 0.71 | ![]() | |
HC4![]() | A | 1XFN | 0.71 | ![]() | |
HC4![]() | A | 1S4R | 0.71 | ![]() | |
HC4![]() | A | 1T18 | 0.71 | ![]() | |
HC4![]() | A | 1OTA | 0.71 | ![]() | |
HC4![]() | A | 1D7E | 0.71 | ![]() | |
HC4![]() | A | 1S1Z | 0.71 | ![]() | |
HC4![]() | A,B,C | 1MZU | 0.71 | ![]() | |
HC4![]() | A,B | 1ODV | 0.71 | ![]() | |
HC4![]() | A,B | 2J3J | 0.71 | ![]() | |
HC4![]() | A | 2QJ5 | 0.71 | ![]() | |
HC4![]() | A | 1OTB | 0.71 | ![]() | |
HC4![]() | A | 2D02 | 0.71 | ![]() | |
HC4![]() | A | 1OT9 | 0.71 | ![]() | |
HC4![]() | A | 1NWZ | 0.71 | ![]() | |
HC4![]() | A | 1S1Y | 0.71 | ![]() | |
2HC![]() | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.73 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.74 | ![]() |
W29![]() | 4-(3-ethylthiophen-2-yl)benzene- 1,2-diol | A | 3D27 | 0.71 | ![]() |
OBP![]() | A,B | 2DE3 | 0.71 | ![]() | |
NE1![]() | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.73 | ![]() |
BHQ![]() | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.7 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.76 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.76 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.76 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.76 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.76 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.76 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.76 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.72 | ![]() |