Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00557164
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 | ![]() |
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 | 0.78 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.8 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.7 | ![]() |
OX4![]() | 3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOW | 0.72 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.78 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.78 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.78 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.78 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.8 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.8 | ![]() |
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 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.76 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.74 | ![]() |
HC4![]() | A | 1TS6 | 0.7 | ![]() | |
HC4![]() | A | 3PHY | 0.7 | ![]() | |
HC4![]() | A | 3PYP | 0.7 | ![]() | |
HC4![]() | A | 1T1C | 0.7 | ![]() | |
HC4![]() | A | 1OT6 | 0.7 | ![]() | |
HC4![]() | A | 1TS0 | 0.7 | ![]() | |
HC4![]() | A | 1T1A | 0.7 | ![]() | |
HC4![]() | A | 2PYP | 0.7 | ![]() | |
HC4![]() | A | 2ZOI | 0.7 | ![]() | |
HC4![]() | A | 1OTI | 0.7 | ![]() | |
HC4![]() | A | 1XFQ | 0.7 | ![]() | |
HC4![]() | A | 2D01 | 0.7 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7B | 0.7 | ![]() | |
HC4![]() | A | 2ZOH | 0.7 | ![]() | |
HC4![]() | A | 1GSW | 0.7 | ![]() | |
HC4![]() | A | 2QJ7 | 0.7 | ![]() | |
HC4![]() | A | 1F9I | 0.7 | ![]() | |
HC4![]() | X | 1UWP | 0.7 | ![]() | |
HC4![]() | A | 2PHY | 0.7 | ![]() | |
HC4![]() | A | 1T1B | 0.7 | ![]() | |
HC4![]() | A | 1F98 | 0.7 | ![]() | |
HC4![]() | A | 1T19 | 0.7 | ![]() | |
HC4![]() | X | 1UWN | 0.7 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7F | 0.7 | ![]() | |
HC4![]() | A | 1UGU | 0.7 | ![]() | |
HC4![]() | A | 1TS8 | 0.7 | ![]() | |
HC4![]() | A,B | 1OTD | 0.7 | ![]() | |
HC4![]() | A | 1OTE | 0.7 | ![]() | |
HC4![]() | A | 1GSX | 0.7 | ![]() | |
HC4![]() | A | 1TS7 | 0.7 | ![]() | |
HC4![]() | A | 2PYR | 0.7 | ![]() | |
HC4![]() | A | 1S4S | 0.7 | ![]() | |
HC4![]() | A | 1GSV | 0.7 | ![]() | |
HC4![]() | A | 2I9V | 0.7 | ![]() | |
HC4![]() | A | 2QWS | 0.7 | ![]() | |
HC4![]() | A | 1XFN | 0.7 | ![]() | |
HC4![]() | A | 1S4R | 0.7 | ![]() | |
HC4![]() | A | 1T18 | 0.7 | ![]() | |
HC4![]() | A | 1OTA | 0.7 | ![]() | |
HC4![]() | A | 1D7E | 0.7 | ![]() | |
HC4![]() | A | 1S1Z | 0.7 | ![]() | |
HC4![]() | A,B,C | 1MZU | 0.7 | ![]() | |
HC4![]() | A,B | 1ODV | 0.7 | ![]() | |
HC4![]() | A,B | 2J3J | 0.7 | ![]() | |
HC4![]() | A | 2QJ5 | 0.7 | ![]() | |
HC4![]() | A | 1OTB | 0.7 | ![]() | |
HC4![]() | A | 2D02 | 0.7 | ![]() | |
HC4![]() | A | 1OT9 | 0.7 | ![]() | |
HC4![]() | A | 1NWZ | 0.7 | ![]() | |
HC4![]() | A | 1S1Y | 0.7 | ![]() | |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.75 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.72 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.72 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.72 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.72 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.79 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.79 | ![]() |
IM3![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-2- IMINOPROPANOIC ACID | A,B,C,D | 2E82 | 0.71 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.79 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.71 | ![]() |
55E![]() | 4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one | A | 3DCV | 0.82 | ![]() |
BHQ![]() | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.79 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.72 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.72 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.72 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.72 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.72 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.72 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.72 | ![]() |
555![]() | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.77 | ![]() |
HDI![]() | 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO- 5-ISOXAZOLE-ACETIC ACID METHYL ESTER | A,B,C | 1LJT | 0.76 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.76 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.72 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.81 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.71 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.72 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.79 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.71 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.75 | ![]() |
2HC![]() | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.71 | ![]() |
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 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.79 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.71 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.73 | ![]() |
OX5![]() | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME | A,B,C | 2OOZ | 0.8 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.72 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.71 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.71 | ![]() |
DHR![]() | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.71 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.76 | ![]() |
178![]() | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.71 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.79 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.8 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.74 | ![]() |
OX3![]() | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME | A,B,C | 2OOH | 0.74 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.79 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.79 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.75 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.75 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.75 | ![]() |
ECO![]() | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | B,D,F,H | 1JNH | 0.75 | ![]() |