Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004658
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 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.73 | |
LJ2 | 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN1 | 0.84 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.74 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.75 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.72 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.74 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.83 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.83 | |
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 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.78 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.82 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.82 | |
PCR | P-CRESOL | A | 1JHV | 0.76 | |
PCR | P-CRESOL | A | 1JHU | 0.76 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.76 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.75 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.75 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.75 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.75 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.75 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.75 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.75 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.71 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.71 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.7 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.7 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.73 | |
OEF | 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID | A | 2J4A | 0.71 | |
2BR | 2-BROMOPHENOL | A,B,C,D | 2A9W | 0.76 | |
FBR | (9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one | A | 2GIU | 0.74 | |
ANF | ANTHRONE | H | 2BJM | 0.73 | |
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 | |
LJ3 | 3,5-dibromobiphenyl-4-ol | A,B | 3CN2 | 0.88 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.81 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.71 | |
TBP | 2,4,6-TRIBROMOPHENOL | L | 1E5A | 0.74 | |
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 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.72 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.72 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.72 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.78 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.76 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.76 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.76 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.76 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.8 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.78 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.72 | |
BML | 4-BROMOPHENOL | A,B,E | 3DHH | 0.74 | |
BML | 4-BROMOPHENOL | A,B | 1XU3 | 0.74 | |
BML | 4-BROMOPHENOL | A,B | 1T0S | 0.74 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.73 | |
EST | ESTRADIOL | A,B | 1GWR | 0.71 | |
EST | ESTRADIOL | A | 1FDS | 0.71 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.71 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.71 | |
EST | ESTRADIOL | A,B | 1A52 | 0.71 | |
EST | ESTRADIOL | A | 1FDT | 0.71 | |
EST | ESTRADIOL | A | 2OCF | 0.71 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.71 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.71 | |
EST | ESTRADIOL | A | 1IOL | 0.71 | |
EST | ESTRADIOL | H | 1JNN | 0.71 | |
EST | ESTRADIOL | B | 1QKT | 0.71 | |
EST | ESTRADIOL | A | 1FDW | 0.71 | |
EST | ESTRADIOL | A,B | 1AQU | 0.71 | |
EST | ESTRADIOL | A | 1LHU | 0.71 | |
EST | ESTRADIOL | A | 1A27 | 0.71 | |
EST | ESTRADIOL | L | 1JGL | 0.71 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.71 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.71 | |
EST | ESTRADIOL | A | 2J7X | 0.71 | |
EST | ESTRADIOL | A,B | 2D06 | 0.71 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.72 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.77 | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.77 | |
BRB | PARA-BROMOBENZYL ALCOHOL | A,B | 1HLD | 0.73 | |
DBY | 3,5 DIBROMOTYROSINE | C,D | 1EBA | 0.7 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.81 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.81 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.78 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.7 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.81 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.82 |