Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03375765
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 |
EGC![]() | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.74 | ![]() |
EGC![]() | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.74 | ![]() |
2HR![]() | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.7 | ![]() |
2HS![]() | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.7 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.81 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.75 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.74 | ![]() |
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 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.74 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.71 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.74 | ![]() |
YR3![]() | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.76 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.82 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.82 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.77 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.78 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.78 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.71 | ![]() |
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 | ![]() |
DHR![]() | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.7 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.73 | ![]() |
458![]() | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.76 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.77 | ![]() |
H53![]() | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.72 | ![]() |
H53![]() | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.72 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.81 | ![]() |
BR3![]() | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.77 | ![]() |
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 | 0.77 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.72 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.71 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.74 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.74 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.74 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.74 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.74 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.74 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 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 | 0.77 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.74 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.74 | ![]() |
STL![]() | RESVERATROL | A,B | 3CKL | 0.71 | ![]() |
STL![]() | RESVERATROL | A,B,C,D | 1U0W | 0.71 | ![]() |
STL![]() | RESVERATROL | A | 1CGZ | 0.71 | ![]() |
STL![]() | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.71 | ![]() |
STL![]() | RESVERATROL | A | 1Z1F | 0.71 | ![]() |
STL![]() | RESVERATROL | A | 1DVS | 0.71 | ![]() |
STL![]() | RESVERATROL | A,B | 1SG0 | 0.71 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.77 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.78 | ![]() |
4BR![]() | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.73 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.75 | ![]() |
OXN![]() | OXTOXYNOL-10 | A | 1IKT | 0.74 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2Q32 | 0.74 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 1UEH | 0.74 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2D4Q | 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 | 0.76 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.71 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.75 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.8 | ![]() |
EYK![]() | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.8 | ![]() |
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 | 0.75 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.76 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.76 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.76 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.76 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.76 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.76 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.81 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.74 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.74 | ![]() |
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 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.78 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.72 | ![]() |
178![]() | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.71 | ![]() |
BPM![]() | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.8 | ![]() |
ESO![]() | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.75 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.75 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.78 | ![]() |
EQI![]() | EQUILIN | A,B | 1EQU | 0.71 | ![]() |
EZT![]() | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.71 | ![]() |
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 | 0.77 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.74 | ![]() |
DR6![]() | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.74 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.73 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.73 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.73 | ![]() |
BHQ![]() | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.78 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.84 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.84 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.71 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.72 | ![]() |
299![]() | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4E | 0.7 | ![]() |
B76![]() | A,B | 2E9D | 0.71 | ![]() |