Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01726712
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 |
EQI | EQUILIN | A,B | 1EQU | 0.85 | |
ANF | ANTHRONE | H | 2BJM | 0.78 | |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.89 | |
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.89 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.74 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.74 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.74 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.74 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.74 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.74 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.74 | |
3TN | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.75 | |
FBR | (9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one | A | 2GIU | 0.77 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.71 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.71 | |
555 | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.73 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.73 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.73 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.83 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.83 | |
EQU | EQUILENIN | A,B | 1OGX | 0.85 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.85 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.85 | |
EQU | EQUILENIN | A | 1W6Y | 0.85 | |
EQU | EQUILENIN | A,B | 1CQS | 0.85 | |
EQU | EQUILENIN | A | 1OGZ | 0.85 | |
EQU | EQUILENIN | A | 1GS3 | 0.85 | |
EQU | EQUILENIN | A | 1OHO | 0.85 | |
4NA | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.74 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.82 | |
EST | ESTRADIOL | A,B | 1GWR | 0.92 | |
EST | ESTRADIOL | A | 1FDS | 0.92 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.92 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.92 | |
EST | ESTRADIOL | A,B | 1A52 | 0.92 | |
EST | ESTRADIOL | A | 1FDT | 0.92 | |
EST | ESTRADIOL | A | 2OCF | 0.92 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.92 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.92 | |
EST | ESTRADIOL | A | 1IOL | 0.92 | |
EST | ESTRADIOL | H | 1JNN | 0.92 | |
EST | ESTRADIOL | B | 1QKT | 0.92 | |
EST | ESTRADIOL | A | 1FDW | 0.92 | |
EST | ESTRADIOL | A,B | 1AQU | 0.92 | |
EST | ESTRADIOL | A | 1LHU | 0.92 | |
EST | ESTRADIOL | A | 1A27 | 0.92 | |
EST | ESTRADIOL | L | 1JGL | 0.92 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.92 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.92 | |
EST | ESTRADIOL | A | 2J7X | 0.92 | |
EST | ESTRADIOL | A,B | 2D06 | 0.92 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.76 | |
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 | 0.81 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.78 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.85 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.85 | |
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 | 0.75 | |
ESO | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.8 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.76 | |
ECS | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.87 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.75 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.75 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.75 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.75 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.75 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.75 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.75 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.73 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.72 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.77 | |
ESM | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.8 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.77 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.72 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.85 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.78 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.83 | |
178 | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.72 | |
226 | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.7 | |
5TN | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1V | 0.72 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.73 | |
196 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.76 | |
ECO | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | B,D,F,H | 1JNH | 0.77 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.72 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.72 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.72 | |
EZT | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.9 | |
ESL | ESTRIOL | A | 1X8V | 0.89 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.79 | |
458 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.73 | |
CTF | (17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate | A | 3BET | 0.72 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.89 | |
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 | 0.74 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.74 | |
STL | RESVERATROL | A,B | 3CKL | 0.73 | |
STL | RESVERATROL | A,B,C,D | 1U0W | 0.73 | |
STL | RESVERATROL | A | 1CGZ | 0.73 | |
STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.73 | |
STL | RESVERATROL | A | 1Z1F | 0.73 | |
STL | RESVERATROL | A | 1DVS | 0.73 | |
STL | RESVERATROL | A,B | 1SG0 | 0.73 | |
PO1 | (9BETA,13ALPHA,14BETA,17ALPHA)- 2-METHOXYESTRA-1,3,5(10)-TRIENE- 3,17-DIYL DISULFAMATE | A | 2GD8 | 0.73 | |
369 | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.71 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.79 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.8 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.8 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.8 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.8 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.77 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 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 | 0.76 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.77 | |
HE7 | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.83 | |
PCR | P-CRESOL | A | 1JHV | 0.73 | |
PCR | P-CRESOL | A | 1JHU | 0.73 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.73 | |
SDT | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.79 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Q70 | 0.7 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Z4B | 0.7 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.79 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.79 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.71 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.71 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.78 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.81 | |
AOE | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.75 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.92 |