Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02332633
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 |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.77 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.77 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.77 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.77 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.77 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.83 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.84 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.84 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.78 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.78 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.76 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.84 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.76 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.77 | |
226 | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.75 | |
TCT | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.78 | |
JPN | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.71 | |
3CA | A,B | 2B77 | 0.72 | ||
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 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.74 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 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 | 0.72 | |
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 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.75 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.85 | |
196 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.75 | |
ESL | ESTRIOL | A | 1X8V | 0.71 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.71 | |
555 | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.72 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.73 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.76 | |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.7 | |
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 | 0.71 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.78 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.73 | |
EZT | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.72 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.71 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.79 | |
2CH | 2-CHLOROPHENOL | A | 1WBO | 0.74 | |
NE2 | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.85 | |
EST | ESTRADIOL | A,B | 1GWR | 0.73 | |
EST | ESTRADIOL | A | 1FDS | 0.73 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.73 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.73 | |
EST | ESTRADIOL | A,B | 1A52 | 0.73 | |
EST | ESTRADIOL | A | 1FDT | 0.73 | |
EST | ESTRADIOL | A | 2OCF | 0.73 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.73 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.73 | |
EST | ESTRADIOL | A | 1IOL | 0.73 | |
EST | ESTRADIOL | H | 1JNN | 0.73 | |
EST | ESTRADIOL | B | 1QKT | 0.73 | |
EST | ESTRADIOL | A | 1FDW | 0.73 | |
EST | ESTRADIOL | A,B | 1AQU | 0.73 | |
EST | ESTRADIOL | A | 1LHU | 0.73 | |
EST | ESTRADIOL | A | 1A27 | 0.73 | |
EST | ESTRADIOL | L | 1JGL | 0.73 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.73 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.73 | |
EST | ESTRADIOL | A | 2J7X | 0.73 | |
EST | ESTRADIOL | A,B | 2D06 | 0.73 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.72 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.72 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.72 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.72 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.72 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.72 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.83 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.78 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.71 | |
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 | |
ANF | ANTHRONE | H | 2BJM | 0.81 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.76 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.74 | |
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 | |
43M | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.83 | |
LZ2 | 5-hydroxynaphthalene-1-sulfonamide | A | 2VTH | 0.74 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.71 | |
LJ3 | 3,5-dibromobiphenyl-4-ol | A,B | 3CN2 | 0.72 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.78 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.78 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.76 | |
PCR | P-CRESOL | A | 1JHV | 0.74 | |
PCR | P-CRESOL | A | 1JHU | 0.74 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 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 | 0.71 | |
JPL | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.7 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.71 | |
4NA | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.87 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.71 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.8 | |
NE1 | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.84 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.82 | |
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 | |
3CH | 3-CHLOROPHENOL | A | 1LI3 | 0.75 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.72 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.86 |