Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02497662
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 |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 1EZV | 0.75 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1P84 | 0.75 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 2IBZ | 0.75 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1KB9 | 0.75 | |
226 | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.74 | |
SDT | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.75 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.78 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.74 | |
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.75 | |
EST | ESTRADIOL | A,B | 1GWR | 0.72 | |
EST | ESTRADIOL | A | 1FDS | 0.72 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.72 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.72 | |
EST | ESTRADIOL | A,B | 1A52 | 0.72 | |
EST | ESTRADIOL | A | 1FDT | 0.72 | |
EST | ESTRADIOL | A | 2OCF | 0.72 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.72 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.72 | |
EST | ESTRADIOL | A | 1IOL | 0.72 | |
EST | ESTRADIOL | H | 1JNN | 0.72 | |
EST | ESTRADIOL | B | 1QKT | 0.72 | |
EST | ESTRADIOL | A | 1FDW | 0.72 | |
EST | ESTRADIOL | A,B | 1AQU | 0.72 | |
EST | ESTRADIOL | A | 1LHU | 0.72 | |
EST | ESTRADIOL | A | 1A27 | 0.72 | |
EST | ESTRADIOL | L | 1JGL | 0.72 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.72 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.72 | |
EST | ESTRADIOL | A | 2J7X | 0.72 | |
EST | ESTRADIOL | A,B | 2D06 | 0.72 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.75 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 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 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 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 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.78 | |
ESM | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.71 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.79 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.8 | |
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 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.73 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.73 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.76 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.76 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.77 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.79 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.78 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.81 | |
VIV | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)- 4,8,12-TRIMETHYLTRIDECYL]CHROMAN- 6-OL | A | 1R5L | 0.78 | |
VIV | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)- 4,8,12-TRIMETHYLTRIDECYL]CHROMAN- 6-OL | A | 1OIP | 0.78 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.75 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.8 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.8 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.8 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.75 | |
DHC | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.73 | |
DHC | CAFFEIC ACID | A | 1KOU | 0.73 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.77 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.77 | |
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 | |
ANF | ANTHRONE | H | 2BJM | 0.74 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.75 | |
PCR | P-CRESOL | A | 1JHV | 0.72 | |
PCR | P-CRESOL | A | 1JHU | 0.72 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.81 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.81 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.81 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.81 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.81 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.81 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.81 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.76 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.76 | |
ESL | ESTRIOL | A | 1X8V | 0.73 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.73 | |
VIT | VITAMIN E | A,B | 1KPM | 0.78 | |
VIT | VITAMIN E | A,B | 3CXI | 0.78 | |
VIT | VITAMIN E | A,B | 3CYL | 0.78 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.73 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.74 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.81 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.81 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.81 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.75 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.75 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.74 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.74 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.74 | |
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 | 0.72 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.77 | |
ECS | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.77 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.74 |