Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03378531
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 | ![]() |
PCQ![]() | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.74 | ![]() |
PCQ![]() | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.74 | ![]() |
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 | ![]() |
NE2![]() | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.72 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | ![]() |
3CH![]() | 3-CHLOROPHENOL | A | 1LI3 | 0.79 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.73 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2A3R | 0.72 | ![]() |
LDP![]() | L-DOPAMINE | A | 5PAH | 0.72 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2QMZ | 0.72 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2VQ5 | 0.72 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.72 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.72 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.72 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.72 | ![]() |
BP3![]() | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.89 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.73 | ![]() |
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 | ![]() |
DCN![]() | DICLOSAN | A,B,C,D | 2PD4 | 0.72 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.83 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.83 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.83 | ![]() |
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 | 0.73 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.86 | ![]() |
2CH![]() | 2-CHLOROPHENOL | A | 1WBO | 0.75 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.78 | ![]() |
TCT![]() | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.73 | ![]() |
PIT![]() | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.74 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.76 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.74 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.71 | ![]() |
JPA![]() | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.72 | ![]() |
DHC![]() | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.75 | ![]() |
DHC![]() | CAFFEIC ACID | A | 1KOU | 0.75 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.7 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.7 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.7 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.7 | ![]() |
2HC![]() | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.71 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.78 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.78 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.78 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.78 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.78 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.78 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.78 | ![]() |
JPM![]() | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.72 | ![]() |
JPL![]() | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.73 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.72 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.72 | ![]() |
JPJ![]() | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.72 | ![]() |
JPJ![]() | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.72 | ![]() |
JPN![]() | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.72 | ![]() |
43M![]() | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.9 | ![]() |
BP6![]() | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.87 | ![]() |
PYG![]() | BENZENE-1,2,3-TRIOL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI4 | 0.7 | ![]() |
PYG![]() | BENZENE-1,2,3-TRIOL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLE | 0.7 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.75 | ![]() |
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 | ![]() |
TC7![]() | 2,4,5-trichlorophenol | A | 2VCE | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.79 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.79 | ![]() |
BHQ![]() | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.73 | ![]() |
4NA![]() | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.71 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.7 | ![]() |
3FA![]() | 3-FLUOROBENZENE-1,2-DIOL | A | 2AS4 | 0.72 | ![]() |
NE1![]() | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.73 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.7 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.74 | ![]() |
STL![]() | RESVERATROL | A,B | 3CKL | 0.7 | ![]() |
STL![]() | RESVERATROL | A,B,C,D | 1U0W | 0.7 | ![]() |
STL![]() | RESVERATROL | A | 1CGZ | 0.7 | ![]() |
STL![]() | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.7 | ![]() |
STL![]() | RESVERATROL | A | 1Z1F | 0.7 | ![]() |
STL![]() | RESVERATROL | A | 1DVS | 0.7 | ![]() |
STL![]() | RESVERATROL | A,B | 1SG0 | 0.7 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.72 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.75 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.75 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.75 | ![]() |
23A![]() | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.71 | ![]() |