Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01294224
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 |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.74 | ![]() |
7CA![]() | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.73 | ![]() |
FDS![]() | FLUORESCIN | H | 4FAB | 0.71 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.74 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.71 | ![]() |
IKR![]() | methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate | A,C,D,E,N,P, Q,R | 3H1K | 0.7 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.73 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.73 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H | 2BFV | 0.8 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H,L | 1BFV | 0.8 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.71 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.71 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.71 | ![]() |
NAR![]() | NARINGENIN | A,B | 2UXU | 0.71 | ![]() |
NAR![]() | NARINGENIN | A | 2BRT | 0.71 | ![]() |
NAR![]() | NARINGENIN | A | 1CGK | 0.71 | ![]() |
NAR![]() | NARINGENIN | A,B | 1EYQ | 0.71 | ![]() |
5TN![]() | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1V | 0.7 | ![]() |
BRZ![]() | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.72 | ![]() |
U03![]() | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.75 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.75 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.75 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.75 | ![]() |
ODE![]() | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.71 | ![]() |
AJA![]() | (6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)- 1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A- TETRAHYDRO-6H-BENZO[C]CHROMENE- 9-CARBOXYLIC ACID | A,B,C,D | 2OM9 | 0.7 | ![]() |
RWF![]() | R-WARFARIN | A,B | 2BXD | 0.72 | ![]() |
FLN![]() | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.7 | ![]() |
DDC![]() | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.7 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.73 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.73 | ![]() |
AZ2![]() | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.71 | ![]() |
AZ2![]() | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.71 | ![]() |
DFL![]() | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.72 | ![]() |
QSO![]() | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.7 | ![]() |
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 | ![]() |
HXP![]() | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.75 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.74 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.71 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.71 | ![]() |
2HI![]() | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE | A | 1ZG3 | 0.74 | ![]() |
SHP![]() | (4-HYDROXYMALTOSEPHENYL)GLYCINE | A | 1DSR | 0.72 | ![]() |
SWF![]() | S-WARFARIN | A,B | 1OG5 | 0.72 | ![]() |
HOM![]() | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.71 | ![]() |
AFN![]() | 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | A | 1N1N | 0.71 | ![]() |
SAK![]() | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.73 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.72 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.72 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.72 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.72 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.72 | ![]() |
RUT![]() | RUTIN | A,B | 1RY8 | 0.73 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIT | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ1 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIU | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PKL | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 3D57 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ2 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2QPY | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ0 | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NUO | 0.7 | ![]() |
4HY![]() | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 2PIN | 0.7 | ![]() |
BYS![]() | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.71 | ![]() |
PFI![]() | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.71 | ![]() |
L41![]() | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.71 | ![]() |
CA2![]() | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2BT4 | 0.72 | ![]() |
POD![]() | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)- 5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3- D][1,3]DIOXOL-6(5AH)-ONE | A,B,C,D | 1SA1 | 0.72 | ![]() |
MUG![]() | 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE | A,B,C,D | 1CJP | 0.76 | ![]() |
HMO![]() | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.7 | ![]() |
4TN![]() | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.71 | ![]() |
HZ3![]() | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.73 | ![]() |
AI7![]() | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.7 | ![]() |
DZN![]() | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.75 | ![]() |
BDS![]() | 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID | A,B | 1JJT | 0.71 | ![]() |
JJ3![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.71 | ![]() |
JJ3![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.71 | ![]() |
E3G![]() | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.81 | ![]() |
C17![]() | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.71 | ![]() |
FX3![]() | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.7 | ![]() |
YZ9![]() | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.73 | ![]() |