Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00813789
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 |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.73 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.81 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.84 | |
EZT | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.73 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.72 | |
EQI | EQUILIN | A,B | 1EQU | 0.73 | |
PCR | P-CRESOL | A | 1JHV | 0.79 | |
PCR | P-CRESOL | A | 1JHU | 0.79 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.79 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.72 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.72 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.76 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.71 | |
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 | 0.74 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.84 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.84 | |
OAC | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.73 | |
178 | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.74 | |
FBR | (9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one | A | 2GIU | 0.7 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.73 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.72 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.9 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.9 | |
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 | 0.72 | |
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 | 0.72 | |
55E | 4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one | A | 3DCV | 0.71 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.77 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.77 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.77 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.77 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.77 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.77 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.77 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.81 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.85 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.77 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.75 | |
SN1 | 2,4-DIHYDROXY-TRANS CINNAMIC ACID | 1 | 1K2I | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.74 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.74 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.74 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.74 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.74 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.7 | |
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 | 0.85 | |
HC4 | A | 1TS6 | 0.74 | ||
HC4 | A | 3PHY | 0.74 | ||
HC4 | A | 3PYP | 0.74 | ||
HC4 | A | 1T1C | 0.74 | ||
HC4 | A | 1OT6 | 0.74 | ||
HC4 | A | 1TS0 | 0.74 | ||
HC4 | A | 1T1A | 0.74 | ||
HC4 | A | 2PYP | 0.74 | ||
HC4 | A | 2ZOI | 0.74 | ||
HC4 | A | 1OTI | 0.74 | ||
HC4 | A | 1XFQ | 0.74 | ||
HC4 | A | 2D01 | 0.74 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.74 | ||
HC4 | A | 2ZOH | 0.74 | ||
HC4 | A | 1GSW | 0.74 | ||
HC4 | A | 2QJ7 | 0.74 | ||
HC4 | A | 1F9I | 0.74 | ||
HC4 | X | 1UWP | 0.74 | ||
HC4 | A | 2PHY | 0.74 | ||
HC4 | A | 1T1B | 0.74 | ||
HC4 | A | 1F98 | 0.74 | ||
HC4 | A | 1T19 | 0.74 | ||
HC4 | X | 1UWN | 0.74 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.74 | ||
HC4 | A | 1UGU | 0.74 | ||
HC4 | A | 1TS8 | 0.74 | ||
HC4 | A,B | 1OTD | 0.74 | ||
HC4 | A | 1OTE | 0.74 | ||
HC4 | A | 1GSX | 0.74 | ||
HC4 | A | 1TS7 | 0.74 | ||
HC4 | A | 2PYR | 0.74 | ||
HC4 | A | 1S4S | 0.74 | ||
HC4 | A | 1GSV | 0.74 | ||
HC4 | A | 2I9V | 0.74 | ||
HC4 | A | 2QWS | 0.74 | ||
HC4 | A | 1XFN | 0.74 | ||
HC4 | A | 1S4R | 0.74 | ||
HC4 | A | 1T18 | 0.74 | ||
HC4 | A | 1OTA | 0.74 | ||
HC4 | A | 1D7E | 0.74 | ||
HC4 | A | 1S1Z | 0.74 | ||
HC4 | A,B,C | 1MZU | 0.74 | ||
HC4 | A,B | 1ODV | 0.74 | ||
HC4 | A,B | 2J3J | 0.74 | ||
HC4 | A | 2QJ5 | 0.74 | ||
HC4 | A | 1OTB | 0.74 | ||
HC4 | A | 2D02 | 0.74 | ||
HC4 | A | 1OT9 | 0.74 | ||
HC4 | A | 1NWZ | 0.74 | ||
HC4 | A | 1S1Y | 0.74 | ||
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.71 | |
BPM | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.74 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.73 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.73 | |
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 | |
EST | ESTRADIOL | A,B | 1GWR | 0.75 | |
EST | ESTRADIOL | A | 1FDS | 0.75 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.75 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.75 | |
EST | ESTRADIOL | A,B | 1A52 | 0.75 | |
EST | ESTRADIOL | A | 1FDT | 0.75 | |
EST | ESTRADIOL | A | 2OCF | 0.75 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.75 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.75 | |
EST | ESTRADIOL | A | 1IOL | 0.75 | |
EST | ESTRADIOL | H | 1JNN | 0.75 | |
EST | ESTRADIOL | B | 1QKT | 0.75 | |
EST | ESTRADIOL | A | 1FDW | 0.75 | |
EST | ESTRADIOL | A,B | 1AQU | 0.75 | |
EST | ESTRADIOL | A | 1LHU | 0.75 | |
EST | ESTRADIOL | A | 1A27 | 0.75 | |
EST | ESTRADIOL | L | 1JGL | 0.75 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.75 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.75 | |
EST | ESTRADIOL | A | 2J7X | 0.75 | |
EST | ESTRADIOL | A,B | 2D06 | 0.75 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.7 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.7 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.75 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.75 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.83 | |
OBP | A,B | 2DE3 | 0.72 | ||
ANF | ANTHRONE | H | 2BJM | 0.74 | |
LJ3 | 3,5-dibromobiphenyl-4-ol | A,B | 3CN2 | 0.71 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.72 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.72 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.72 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.72 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.85 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.85 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.85 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.76 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.76 | |
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 | |
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 | |
ECS | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.73 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.72 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.84 | |
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 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.71 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.71 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.71 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.75 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.74 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.73 | |
ESL | ESTRIOL | A | 1X8V | 0.74 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.75 | |
OHP | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.72 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.84 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.74 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.74 | |
SDT | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.71 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.71 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.71 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.86 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.83 | |
STL | RESVERATROL | A,B | 3CKL | 0.72 | |
STL | RESVERATROL | A,B,C,D | 1U0W | 0.72 | |
STL | RESVERATROL | A | 1CGZ | 0.72 | |
STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.72 | |
STL | RESVERATROL | A | 1Z1F | 0.72 | |
STL | RESVERATROL | A | 1DVS | 0.72 | |
STL | RESVERATROL | A,B | 1SG0 | 0.72 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.72 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.81 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.76 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.72 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.76 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.8 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.76 | |
EQU | EQUILENIN | A,B | 1OGX | 0.71 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.71 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.71 | |
EQU | EQUILENIN | A | 1W6Y | 0.71 | |
EQU | EQUILENIN | A,B | 1CQS | 0.71 | |
EQU | EQUILENIN | A | 1OGZ | 0.71 | |
EQU | EQUILENIN | A | 1GS3 | 0.71 | |
EQU | EQUILENIN | A | 1OHO | 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 | 0.77 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.83 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.83 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.83 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.83 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.72 | |
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 | 0.73 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.7 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.75 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.75 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.75 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.79 |