Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03546987
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 |
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 | 0.8 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.73 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.76 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.73 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.78 | |
TCT | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.77 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.71 | |
NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.71 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.71 | |
OBP | A,B | 2DE3 | 0.73 | ||
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.7 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.84 | |
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 | |
TTO | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL- ARSONIUM | A | 1HYZ | 0.76 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.76 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.8 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.8 | |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.75 | |
EST | ESTRADIOL | A,B | 1GWR | 0.77 | |
EST | ESTRADIOL | A | 1FDS | 0.77 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.77 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.77 | |
EST | ESTRADIOL | A,B | 1A52 | 0.77 | |
EST | ESTRADIOL | A | 1FDT | 0.77 | |
EST | ESTRADIOL | A | 2OCF | 0.77 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.77 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.77 | |
EST | ESTRADIOL | A | 1IOL | 0.77 | |
EST | ESTRADIOL | H | 1JNN | 0.77 | |
EST | ESTRADIOL | B | 1QKT | 0.77 | |
EST | ESTRADIOL | A | 1FDW | 0.77 | |
EST | ESTRADIOL | A,B | 1AQU | 0.77 | |
EST | ESTRADIOL | A | 1LHU | 0.77 | |
EST | ESTRADIOL | A | 1A27 | 0.77 | |
EST | ESTRADIOL | L | 1JGL | 0.77 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.77 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.77 | |
EST | ESTRADIOL | A | 2J7X | 0.77 | |
EST | ESTRADIOL | A,B | 2D06 | 0.77 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.78 | |
226 | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.85 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.73 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.74 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.73 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.73 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.73 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.73 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.73 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.73 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.73 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.73 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.73 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.73 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.73 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.78 | |
369 | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.78 | |
BPA | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.78 | |
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 | 0.74 | |
HE7 | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.7 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.7 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 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 | 0.72 | |
SDT | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.74 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.75 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.8 | |
LZ2 | 5-hydroxynaphthalene-1-sulfonamide | A | 2VTH | 0.76 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.7 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.71 | |
178 | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL | A,B | 1TVE | 0.7 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.76 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.78 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.78 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.78 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.78 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.78 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.78 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.78 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.78 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.78 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.78 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.78 | |
ECS | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.81 | |
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 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.72 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.72 | |
EQI | EQUILIN | A,B | 1EQU | 0.72 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.74 | |
LDP | L-DOPAMINE | A | 5PAH | 0.74 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.74 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.74 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.8 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.8 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.8 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.79 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.87 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.7 | |
196 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.84 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.79 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.77 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.77 | |
DHC | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.75 | |
DHC | CAFFEIC ACID | A | 1KOU | 0.75 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.71 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.83 | |
ANF | ANTHRONE | H | 2BJM | 0.93 | |
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.8 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.88 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.88 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.88 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.88 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.88 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.88 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.88 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.87 | |
PCR | P-CRESOL | A | 1JHV | 0.72 | |
PCR | P-CRESOL | A | 1JHU | 0.72 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.72 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.81 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.81 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.7 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.7 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.93 | |
BPM | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.71 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.79 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.72 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.7 | |
LJ3 | 3,5-dibromobiphenyl-4-ol | A,B | 3CN2 | 0.73 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.75 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.81 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.73 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.79 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.79 | |
4NA | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.82 | |
STL | RESVERATROL | A,B | 3CKL | 0.75 | |
STL | RESVERATROL | A,B,C,D | 1U0W | 0.75 | |
STL | RESVERATROL | A | 1CGZ | 0.75 | |
STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.75 | |
STL | RESVERATROL | A | 1Z1F | 0.75 | |
STL | RESVERATROL | A | 1DVS | 0.75 | |
STL | RESVERATROL | A,B | 1SG0 | 0.75 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.73 | |
W29 | 4-(3-ethylthiophen-2-yl)benzene- 1,2-diol | A | 3D27 | 0.71 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.81 | |
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 | 0.71 | |
ESL | ESTRIOL | A | 1X8V | 0.78 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.72 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.88 | |
ESM | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.74 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.78 | |
EQU | EQUILENIN | A,B | 1OGX | 0.79 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.79 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.79 | |
EQU | EQUILENIN | A | 1W6Y | 0.79 | |
EQU | EQUILENIN | A,B | 1CQS | 0.79 | |
EQU | EQUILENIN | A | 1OGZ | 0.79 | |
EQU | EQUILENIN | A | 1GS3 | 0.79 | |
EQU | EQUILENIN | A | 1OHO | 0.79 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.71 | |
CAQ | CATECHOL | B | 2BUY | 0.7 | |
CAQ | CATECHOL | A | 1KND | 0.7 | |
CAQ | CATECHOL | B | 2BUQ | 0.7 | |
CAQ | CATECHOL | A,B | 1DLT | 0.7 | |
CAQ | CATECHOL | A | 1XEP | 0.7 | |
CAQ | CATECHOL | A | 2PUM | 0.7 | |
EZT | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.76 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.75 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.75 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.79 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.79 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.79 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.74 | |
555 | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.81 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.79 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.79 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.79 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.71 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.71 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.79 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.79 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.79 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.77 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.81 |