Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01738448
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 | ![]() |
BRZ![]() | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.74 | ![]() |
U03![]() | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.78 | ![]() |
M1S![]() | (5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE | A | 2IWX | 0.71 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.74 | ![]() |
FDS![]() | FLUORESCIN | H | 4FAB | 0.76 | ![]() |
A15![]() | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.72 | ![]() |
B29![]() | [2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | A,B | 2E98 | 0.72 | ![]() |
B29![]() | [2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | A,B | 2E93 | 0.72 | ![]() |
FC2![]() | 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID | A | 2EVM | 0.72 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 1FHY | 0.82 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 204D | 0.82 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 2B2B | 0.82 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 1FHZ | 0.82 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A | 203D | 0.82 | ![]() |
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 | ![]() |
397![]() | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.76 | ![]() |
VII![]() | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.74 | ![]() |
667![]() | 6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN- 3-O-SULFAMATE | A | 1TTM | 0.73 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1E1Y | 0.7 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A,B | 3BLR | 0.7 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1C8K | 0.7 | ![]() |
8MO![]() | METHOXSALEN | A,B,C,D | 1Z11 | 0.79 | ![]() |
NP5![]() | (5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE | A | 2IWU | 0.71 | ![]() |
DBF![]() | DIBENZOFURAN-4,6-DICARBOXYLIC ACID | B | 1DVU | 0.76 | ![]() |
NCZ![]() | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.7 | ![]() |
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 | ![]() |
FCD![]() | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.72 | ![]() |
R19![]() | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.7 | ![]() |
SAK![]() | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.71 | ![]() |
HOM![]() | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.73 | ![]() |
RWF![]() | R-WARFARIN | A,B | 2BXD | 0.72 | ![]() |
C17![]() | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.86 | ![]() |
KMP![]() | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 1H1M | 0.72 | ![]() |
KMP![]() | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2C1Z | 0.72 | ![]() |
DDC![]() | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.7 | ![]() |
HMO![]() | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.73 | ![]() |
4MU![]() | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.7 | ![]() |
BHF![]() | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.71 | ![]() |
RDC![]() | RADICICOL | A,B | 2Q8I | 0.71 | ![]() |
RDC![]() | RADICICOL | A,B | 1U0Z | 0.71 | ![]() |
RDC![]() | RADICICOL | A | 1BGQ | 0.71 | ![]() |
RDC![]() | RADICICOL | B,D,F,H | 2ZBK | 0.71 | ![]() |
RDC![]() | RADICICOL | A | 2HKJ | 0.71 | ![]() |
RDC![]() | RADICICOL | A,B,C | 3CGY | 0.71 | ![]() |
RDC![]() | RADICICOL | A,B | 2WER | 0.71 | ![]() |
697![]() | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE | A,B | 1X76 | 0.72 | ![]() |
YZ9![]() | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.7 | ![]() |
R17![]() | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.72 | ![]() |
AGI![]() | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.72 | ![]() |
HXP![]() | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.73 | ![]() |
IH5![]() | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAV | 0.73 | ![]() |
IH5![]() | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAX | 0.73 | ![]() |
NAR![]() | NARINGENIN | A,B | 2UXU | 0.7 | ![]() |
NAR![]() | NARINGENIN | A | 2BRT | 0.7 | ![]() |
NAR![]() | NARINGENIN | A | 1CGK | 0.7 | ![]() |
NAR![]() | NARINGENIN | A,B | 1EYQ | 0.7 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X78 | 0.73 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X7E | 0.73 | ![]() |
BZF![]() | BENZOFURAN | A | 182L | 0.72 | ![]() |
SWF![]() | S-WARFARIN | A,B | 1OG5 | 0.72 | ![]() |
C18![]() | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.73 | ![]() |
A18![]() | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.72 | ![]() |
NP4![]() | (5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE | A | 2IWS | 0.71 | ![]() |
ORE![]() | 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID | H,I | 2A9N | 0.74 | ![]() |
34C![]() | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.7 | ![]() |
L41![]() | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.71 | ![]() |
REF![]() | 2,3,7,8-tetrahydroxychromeno[5,4,3- cde]chromene-5,10-dione | A | 2ZJW | 0.71 | ![]() |
2HI![]() | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE | A | 1ZG3 | 0.7 | ![]() |
FSE![]() | 3,7,3',4'-TETRAHYDROXYFLAVONE | B | 1XO2 | 0.7 | ![]() |
GEN![]() | GENISTEIN | A | 1QKM | 0.72 | ![]() |
GEN![]() | GENISTEIN | A,B | 1X7J | 0.72 | ![]() |
GEN![]() | GENISTEIN | A,B | 2QA8 | 0.72 | ![]() |
GEN![]() | GENISTEIN | A | 1X7R | 0.72 | ![]() |
B21![]() | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.71 | ![]() |
P2N![]() | (5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE | A | 2CGF | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1ME7 | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEI | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEH | 0.71 | ![]() |
QSO![]() | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.73 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.78 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.78 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.78 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.78 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.78 | ![]() |