Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02215076
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 |  |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.75 | |
| EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.75 | |
NE1 | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.81 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.75 | |
BPM | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.7 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.84 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.75 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.72 | |
| ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.72 | |
2CH | 2-CHLOROPHENOL | A | 1WBO | 0.72 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.73 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.73 | |
| CRS | M-CRESOL | A,B | 1UZ9 | 0.73 | |
| CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.73 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.73 | |
| CRS | M-CRESOL | A,C,D,E | 7INS | 0.73 | |
| CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.73 | |
OAC | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.73 | |
CHB | 3-CHLORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCH | 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 | 0.75 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.81 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.77 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.71 | |
3CA | A,B | 2B77 | 0.73 | | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.73 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.79 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.72 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.75 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.71 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.84 | |
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 | |
4NA | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.77 | |
OBP | A,B | 2DE3 | 0.72 | | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.86 | |
| PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.86 | |
ANF | ANTHRONE | H | 2BJM | 0.74 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.74 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.78 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.76 | |
| BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.76 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.81 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.7 | |
| SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.7 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.76 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.7 | |
NE2 | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.81 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.79 | |
| DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.79 | |
| DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.79 | |
| DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.79 | |
JPN | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.7 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.73 | |
STL | RESVERATROL | A,B | 3CKL | 0.75 | |
| STL | RESVERATROL | A,B,C,D | 1U0W | 0.75 | |
| STL | RESVERATROL | A | 1CGZ | 0.75 | |
| STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.75 | |
| STL | RESVERATROL | A | 1Z1F | 0.75 | |
| STL | RESVERATROL | A | 1DVS | 0.75 | |
| STL | RESVERATROL | A,B | 1SG0 | 0.75 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.7 | |
| JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.7 | |
3CH | 3-CHLOROPHENOL | A | 1LI3 | 0.74 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.72 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.71 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.71 | |
43M | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.81 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.78 | |
| 2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.78 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.71 | |
178 | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.71 | |
PCR | P-CRESOL | A | 1JHV | 0.74 | |
| PCR | P-CRESOL | A | 1JHU | 0.74 | |
| PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.74 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.75 | |
JPL | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.7 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.71 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.77 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.77 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3C3U | 0.71 | |
| C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3CV7 | 0.71 | |