Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03251172
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 |
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 | ![]() |
BHQ![]() | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.83 | ![]() |
2LP![]() | 2-ALLYLPHENOL | A | 1OV5 | 0.8 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.75 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.71 | ![]() |
2NA![]() | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.7 | ![]() |
VIT![]() | VITAMIN E | A,B | 1KPM | 0.76 | ![]() |
VIT![]() | VITAMIN E | A,B | 3CXI | 0.76 | ![]() |
VIT![]() | VITAMIN E | A,B | 3CYL | 0.76 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1KMY | 0.77 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.77 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.77 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | A | 1EIR | 0.77 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.77 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KWC | 0.77 | ![]() |
BPY![]() | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.77 | ![]() |
PCR![]() | P-CRESOL | A | 1JHV | 0.76 | ![]() |
PCR![]() | P-CRESOL | A | 1JHU | 0.76 | ![]() |
PCR![]() | P-CRESOL | A,B,C,D | 1DIQ | 0.76 | ![]() |
PFB![]() | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1MGO | 0.71 | ![]() |
PFB![]() | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL | A,B | 1HLD | 0.71 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.7 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.73 | ![]() |
FP2![]() | 2-fluorophenol | A | 3CPO | 0.7 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.86 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.79 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.75 | ![]() |
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 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.74 | ![]() |
EZT![]() | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.7 | ![]() |
BP3![]() | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.7 | ![]() |
OAC![]() | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.7 | ![]() |
DRQ![]() | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.72 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.74 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.74 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.74 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 3ERD | 0.74 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.74 | ![]() |
DES![]() | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.74 | ![]() |
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 | ![]() |
196![]() | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.74 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.84 | ![]() |
FPN![]() | 4-FLUOROPHENOL | A,B | 1XVD | 0.7 | ![]() |
ETY![]() | 4-ethylphenol | A,B,C,D | 2RA6 | 0.78 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.7 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.7 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.7 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.8 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.7 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.77 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.72 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.72 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.7 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.7 | ![]() |
FHC![]() | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.7 | ![]() |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.73 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.84 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.74 | ![]() |
FCR![]() | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.74 | ![]() |
2HC![]() | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.72 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.78 | ![]() |
FFP![]() | 2,6-DIFLUOROPHENOL | A | 2INX | 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 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.8 | ![]() |
2MP![]() | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.83 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.78 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.76 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1EV3 | 0.79 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.79 | ![]() |
CRS![]() | M-CRESOL | A,B | 1UZ9 | 0.79 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D | 1ZEH | 0.79 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.79 | ![]() |
CRS![]() | M-CRESOL | A,C,D,E | 7INS | 0.79 | ![]() |
CRS![]() | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.79 | ![]() |
VIV![]() | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)- 4,8,12-TRIMETHYLTRIDECYL]CHROMAN- 6-OL | A | 1R5L | 0.76 | ![]() |
VIV![]() | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)- 4,8,12-TRIMETHYLTRIDECYL]CHROMAN- 6-OL | A | 1OIP | 0.76 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.72 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.76 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.73 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.73 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.73 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.77 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.77 | ![]() |
TN1![]() | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.81 | ![]() |
LJ3![]() | 3,5-dibromobiphenyl-4-ol | A,B | 3CN2 | 0.7 | ![]() |