Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006982
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 |
FP2 | 2-fluorophenol | A | 3CPO | 0.72 | |
NE1 | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.81 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.78 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.79 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.79 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.79 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.7 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.75 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.85 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.85 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.85 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.85 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.85 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.85 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.85 | |
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 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.7 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.77 | |
CHB | 3-CHLORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCH | 0.76 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.7 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.7 | |
FFP | 2,6-DIFLUOROPHENOL | A | 2INX | 0.71 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.7 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.78 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.8 | |
PCR | P-CRESOL | A | 1JHV | 0.82 | |
PCR | P-CRESOL | A | 1JHU | 0.82 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.82 | |
JPL | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.71 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.71 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.78 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.75 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.75 | |
IPH | PHENOL | A,B | 2OLD | 0.75 | |
IPH | PHENOL | A,B,C,D | 2PZV | 0.75 | |
IPH | PHENOL | A | 1LI2 | 0.75 | |
IPH | PHENOL | A | 2J9N | 0.75 | |
IPH | PHENOL | A,B,C,D | 2OMB | 0.75 | |
IPH | PHENOL | A | 1JHX | 0.75 | |
IPH | PHENOL | A,B,C,D | 2VE7 | 0.75 | |
IPH | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.75 | |
IPH | PHENOL | A,B,C,D | 1FOH | 0.75 | |
IPH | PHENOL | A | 1V03 | 0.75 | |
IPH | PHENOL | A,C,E,G,I,K | 5AIY | 0.75 | |
IPH | PHENOL | B,D,F,H,J,L | 1AIY | 0.75 | |
IPH | PHENOL | A,B | 1XU5 | 0.75 | |
IPH | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.75 | |
IPH | PHENOL | A,C,E,G,I,K | 4AIY | 0.75 | |
IPH | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.75 | |
IPH | PHENOL | A | 2AS3 | 0.75 | |
IPH | PHENOL | A,B,C,D | 1ZEG | 0.75 | |
IPH | PHENOL | A,B,C,D | 1PN0 | 0.75 | |
IPH | PHENOL | A,B,C,D | 1XW7 | 0.75 | |
IPH | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.75 | |
IPH | PHENOL | A,B,C,D | 1Q4V | 0.75 | |
IPH | PHENOL | B | 1AI7 | 0.75 | |
IPH | PHENOL | A | 1FJW | 0.75 | |
IPH | PHENOL | B,C,D | 1RWE | 0.75 | |
IPH | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.75 | |
IPH | PHENOL | B,C,D | 3GKY | 0.75 | |
IPH | PHENOL | A | 1JHY | 0.75 | |
IPH | PHENOL | A,C,E,G,I,K | 3AIY | 0.75 | |
IPH | PHENOL | A,B | 2OMN | 0.75 | |
IPH | PHENOL | A,C,E,G,I,K | 2AIY | 0.75 | |
IPH | PHENOL | A,B,D | 1MPJ | 0.75 | |
IPH | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.75 | |
IPH | PHENOL | B,C,D | 1LPH | 0.75 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.7 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.78 | |
HC4 | A | 1TS6 | 0.73 | ||
HC4 | A | 3PHY | 0.73 | ||
HC4 | A | 3PYP | 0.73 | ||
HC4 | A | 1T1C | 0.73 | ||
HC4 | A | 1OT6 | 0.73 | ||
HC4 | A | 1TS0 | 0.73 | ||
HC4 | A | 1T1A | 0.73 | ||
HC4 | A | 2PYP | 0.73 | ||
HC4 | A | 2ZOI | 0.73 | ||
HC4 | A | 1OTI | 0.73 | ||
HC4 | A | 1XFQ | 0.73 | ||
HC4 | A | 2D01 | 0.73 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.73 | ||
HC4 | A | 2ZOH | 0.73 | ||
HC4 | A | 1GSW | 0.73 | ||
HC4 | A | 2QJ7 | 0.73 | ||
HC4 | A | 1F9I | 0.73 | ||
HC4 | X | 1UWP | 0.73 | ||
HC4 | A | 2PHY | 0.73 | ||
HC4 | A | 1T1B | 0.73 | ||
HC4 | A | 1F98 | 0.73 | ||
HC4 | A | 1T19 | 0.73 | ||
HC4 | X | 1UWN | 0.73 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.73 | ||
HC4 | A | 1UGU | 0.73 | ||
HC4 | A | 1TS8 | 0.73 | ||
HC4 | A,B | 1OTD | 0.73 | ||
HC4 | A | 1OTE | 0.73 | ||
HC4 | A | 1GSX | 0.73 | ||
HC4 | A | 1TS7 | 0.73 | ||
HC4 | A | 2PYR | 0.73 | ||
HC4 | A | 1S4S | 0.73 | ||
HC4 | A | 1GSV | 0.73 | ||
HC4 | A | 2I9V | 0.73 | ||
HC4 | A | 2QWS | 0.73 | ||
HC4 | A | 1XFN | 0.73 | ||
HC4 | A | 1S4R | 0.73 | ||
HC4 | A | 1T18 | 0.73 | ||
HC4 | A | 1OTA | 0.73 | ||
HC4 | A | 1D7E | 0.73 | ||
HC4 | A | 1S1Z | 0.73 | ||
HC4 | A,B,C | 1MZU | 0.73 | ||
HC4 | A,B | 1ODV | 0.73 | ||
HC4 | A,B | 2J3J | 0.73 | ||
HC4 | A | 2QJ5 | 0.73 | ||
HC4 | A | 1OTB | 0.73 | ||
HC4 | A | 2D02 | 0.73 | ||
HC4 | A | 1OT9 | 0.73 | ||
HC4 | A | 1NWZ | 0.73 | ||
HC4 | A | 1S1Y | 0.73 | ||
4NA | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.77 | |
2CH | 2-CHLOROPHENOL | A | 1WBO | 0.88 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 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 | 0.76 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.82 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.82 | |
STL | RESVERATROL | A,B | 3CKL | 0.74 | |
STL | RESVERATROL | A,B,C,D | 1U0W | 0.74 | |
STL | RESVERATROL | A | 1CGZ | 0.74 | |
STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.74 | |
STL | RESVERATROL | A | 1Z1F | 0.74 | |
STL | RESVERATROL | A | 1DVS | 0.74 | |
STL | RESVERATROL | A,B | 1SG0 | 0.74 | |
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 | |
TC7 | 2,4,5-trichlorophenol | A | 2VCE | 0.78 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.73 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.73 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.73 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.81 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.81 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.81 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.81 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.81 | |
FPN | 4-FLUOROPHENOL | A,B | 1XVD | 0.72 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.8 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.74 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.78 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.78 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.74 | |
DHC | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.71 | |
DHC | CAFFEIC ACID | A | 1KOU | 0.71 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.72 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.73 | |
3CH | 3-CHLOROPHENOL | A | 1LI3 | 0.84 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.76 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.76 | |
NE2 | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.82 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.78 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 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 | |
IOL | 4-IODOPHENOL | A,B | 1EWA | 0.72 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.72 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.8 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.7 | |
43M | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.94 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3C3U | 0.71 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3CV7 | 0.71 |