Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00057373
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 |
555![]() | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.74 | ![]() |
43M![]() | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.73 | ![]() |
TCT![]() | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.77 | ![]() |
3CA![]() | A,B | 2B77 | 0.7 | ![]() | |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.74 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.74 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.74 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.74 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.74 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.76 | ![]() |
DRQ![]() | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.75 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.75 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.75 | ![]() |
226![]() | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.73 | ![]() |
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 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.74 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.74 | ![]() |
BZR![]() | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.74 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.74 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.74 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.7 | ![]() |
JPN![]() | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.71 | ![]() |
369![]() | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.78 | ![]() |
196![]() | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.77 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.79 | ![]() |
PCQ![]() | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.75 | ![]() |
PCQ![]() | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.75 | ![]() |
JPJ![]() | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.71 | ![]() |
JPJ![]() | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.71 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.74 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.74 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.74 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.71 | ![]() |
TBT![]() | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.74 | ![]() |
JPM![]() | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.7 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.73 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.73 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.74 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.74 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.74 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.74 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.74 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.74 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.74 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.74 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.74 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.74 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.74 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.74 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.74 | ![]() |
A15![]() | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.74 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | ![]() |
NE2![]() | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.73 | ![]() |
TBC![]() | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.71 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.76 | ![]() |
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 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.81 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.73 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.73 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.73 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.73 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.81 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 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 | 0.74 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.74 | ![]() |
BP3![]() | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.8 | ![]() |
BP6![]() | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.79 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.79 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.79 | ![]() |
BPA![]() | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.76 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.74 | ![]() |
NE1![]() | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.73 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.71 | ![]() |
JPA![]() | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.71 | ![]() |
4NA![]() | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.88 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.76 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.76 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.76 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.76 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.76 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.76 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.76 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.76 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.76 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.76 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.76 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.71 | ![]() |
EZT![]() | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.76 | ![]() |
GA9![]() | 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)- 7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN- 1-ONE | A,B,C,D | 2A9W | 0.7 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.78 | ![]() |
AFI![]() | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.7 | ![]() |