Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02993954
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 |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.73 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.73 | |
W29 | 4-(3-ethylthiophen-2-yl)benzene- 1,2-diol | A | 3D27 | 0.77 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.71 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.75 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.74 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.71 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.71 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.73 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.73 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.73 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.73 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.73 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.73 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.73 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 1EZV | 0.74 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1P84 | 0.74 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 2IBZ | 0.74 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1KB9 | 0.74 | |
TCT | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.7 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.72 | |
STH | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL | A,B,C,D | 1XKL | 0.75 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.73 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.73 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.73 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.73 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.73 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.73 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.73 | |
PIT | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.73 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.72 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.72 | |
DHC | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.74 | |
DHC | CAFFEIC ACID | A | 1KOU | 0.74 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.91 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.91 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.91 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.91 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.91 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.91 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.91 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.91 | |
JPL | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.71 | |
VXX | VANILLATE | A,B | 1WB6 | 0.74 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.73 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.78 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.8 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.8 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.8 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.77 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.76 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.76 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.82 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.82 | |
4HM | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.73 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.71 | |
PCR | P-CRESOL | A | 1JHV | 0.72 | |
PCR | P-CRESOL | A | 1JHU | 0.72 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.72 | |
FX3 | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.74 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.79 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.79 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.71 | |
LDP | L-DOPAMINE | A | 5PAH | 0.71 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.71 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.71 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.72 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.71 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.77 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.77 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.81 | |
YR3 | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.71 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.71 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.7 | |
ESM | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.74 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.84 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.84 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.72 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.84 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.7 | |
8CM | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.75 | |
MAX | MATAIRESINOL | A | 2BGM | 0.73 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.71 |