Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02248237
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 |
LJ3![]() | 3,5-dibromobiphenyl-4-ol | A,B | 3CN2 | 0.82 | ![]() |
DHC![]() | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.72 | ![]() |
DHC![]() | CAFFEIC ACID | A | 1KOU | 0.72 | ![]() |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.83 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.71 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.73 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.76 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.76 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.76 | ![]() |
TCT![]() | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.7 | ![]() |
196![]() | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.72 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.77 | ![]() |
2BR![]() | 2-BROMOPHENOL | A,B,C,D | 2A9W | 0.71 | ![]() |
SDT![]() | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.7 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.71 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.71 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.75 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.75 | ![]() |
BP6![]() | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.75 | ![]() |
BML![]() | 4-BROMOPHENOL | A,B,E | 3DHH | 0.71 | ![]() |
BML![]() | 4-BROMOPHENOL | A,B | 1XU3 | 0.71 | ![]() |
BML![]() | 4-BROMOPHENOL | A,B | 1T0S | 0.71 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.77 | ![]() |
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 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.7 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.7 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.72 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.72 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.75 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.73 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.7 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.7 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.7 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.7 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.7 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.7 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.7 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.75 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.75 | ![]() |
LZ2![]() | 5-hydroxynaphthalene-1-sulfonamide | A | 2VTH | 0.73 | ![]() |
PIT![]() | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.76 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.73 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2A3R | 0.71 | ![]() |
LDP![]() | L-DOPAMINE | A | 5PAH | 0.71 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2QMZ | 0.71 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2VQ5 | 0.71 | ![]() |
789![]() | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.72 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.8 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.74 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.89 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.83 | ![]() |
4NA![]() | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.71 | ![]() |
LJ2![]() | 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN1 | 0.79 | ![]() |
STL![]() | RESVERATROL | A,B | 3CKL | 0.72 | ![]() |
STL![]() | RESVERATROL | A,B,C,D | 1U0W | 0.72 | ![]() |
STL![]() | RESVERATROL | A | 1CGZ | 0.72 | ![]() |
STL![]() | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.72 | ![]() |
STL![]() | RESVERATROL | A | 1Z1F | 0.72 | ![]() |
STL![]() | RESVERATROL | A | 1DVS | 0.72 | ![]() |
STL![]() | RESVERATROL | A,B | 1SG0 | 0.72 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.73 | ![]() |
2E3![]() | (2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid | A | 3FUG | 0.7 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.75 | ![]() |
226![]() | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.81 | ![]() |
BP3![]() | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.76 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.83 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.83 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.83 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.83 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.83 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.83 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.83 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.71 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.83 | ![]() |