Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03269570
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 |
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.73 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.84 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.84 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.76 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.7 | |
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 | |
2CH | 2-CHLOROPHENOL | A | 1WBO | 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 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.74 | |
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 | 0.72 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.75 | |
NE1 | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.79 | |
ESL | ESTRIOL | A | 1X8V | 0.71 | |
34C | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.71 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.71 | |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.7 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.71 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.77 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.7 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.73 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.75 | |
459 | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.72 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.7 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.77 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.77 | |
4NA | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.77 | |
3CA | A,B | 2B77 | 0.71 | ||
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.76 | |
NE2 | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.79 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.76 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.72 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.74 | |
PCR | P-CRESOL | A | 1JHV | 0.7 | |
PCR | P-CRESOL | A | 1JHU | 0.7 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.7 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.76 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.76 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.76 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.76 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.76 | |
458 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.7 | |
ECS | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.7 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.71 | |
43M | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.76 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.77 | |
689 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.72 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.74 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.72 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.77 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.77 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.77 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.77 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3C3U | 0.71 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3CV7 | 0.71 |