Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03172818
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 |
4NA![]() | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.73 | ![]() |
LZ2![]() | 5-hydroxynaphthalene-1-sulfonamide | A | 2VTH | 0.8 | ![]() |
2C7![]() | 2-(cycloheptylmethyl)-1,1-dioxido- 1-benzothiophen-6-yl sulfamate | A | 3DD8 | 0.71 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.73 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.73 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.73 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.73 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.73 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.73 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.73 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.73 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.77 | ![]() |
OBP![]() | A,B | 2DE3 | 0.78 | ![]() | |
196![]() | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.75 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.71 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.73 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.71 | ![]() |
555![]() | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.72 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.7 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.72 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.75 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.7 | ![]() |
EZT![]() | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.72 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.75 | ![]() |
DRQ![]() | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.72 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.73 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.73 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.73 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.73 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.73 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.73 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.73 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.73 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.73 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.73 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.73 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.73 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.73 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.73 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.73 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.73 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.73 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.73 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.73 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.73 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.73 | ![]() |
178![]() | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.72 | ![]() |
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 | 0.73 | ![]() |
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 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.73 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.73 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.77 | ![]() |
369![]() | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.71 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.73 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.75 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.75 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.72 | ![]() |