Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02670131
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 |
2PB | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE | A | 1SDE | 0.72 | |
1NH | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.72 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.79 | |
FL8 | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE | B,C | 1KGJ | 0.71 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.81 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.81 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.72 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.79 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.72 | |
RWF | R-WARFARIN | A,B | 2BXD | 0.75 | |
HZ3 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.79 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.71 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.71 | |
PY9 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.72 | |
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.72 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.72 | |
ORE | 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID | H,I | 2A9N | 0.79 | |
U01 | 3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE | A | 1UPJ | 0.7 | |
NP5 | (5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE | A | 2IWU | 0.8 | |
VXX | VANILLATE | A,B | 1WB6 | 0.77 | |
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 | 0.75 | |
RDC | RADICICOL | A,B | 2Q8I | 0.78 | |
RDC | RADICICOL | A,B | 1U0Z | 0.78 | |
RDC | RADICICOL | A | 1BGQ | 0.78 | |
RDC | RADICICOL | B,D,F,H | 2ZBK | 0.78 | |
RDC | RADICICOL | A | 2HKJ | 0.78 | |
RDC | RADICICOL | A,B,C | 3CGY | 0.78 | |
RDC | RADICICOL | A,B | 2WER | 0.78 | |
113 | 7,8-DIHYDROXY-1-METHOXY-3-METHYL- 10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3- B]CHROMENE-9-CARBOXYLIC ACID | A,B | 1KR3 | 0.72 | |
113 | 7,8-DIHYDROXY-1-METHOXY-3-METHYL- 10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3- B]CHROMENE-9-CARBOXYLIC ACID | A,B | 1HLK | 0.72 | |
A15 | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.72 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.7 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.7 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.72 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.72 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.72 | |
KMP | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 1H1M | 0.81 | |
KMP | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2C1Z | 0.81 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.73 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.73 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.73 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.73 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOD | 0.85 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOE | 0.85 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1PBB | 0.85 | |
BRZ | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.73 | |
T4A | C,D | 1KGI | 0.71 | ||
T4A | A,B | 1Z7J | 0.71 | ||
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.82 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.82 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.82 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.82 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.82 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.82 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.82 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1K03 | 0.72 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 2VQ5 | 0.72 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1EB9 | 0.72 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 2GQ9 | 0.72 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1Z42 | 0.72 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1OYB | 0.72 | |
4FC | A | 1YSG | 0.71 | ||
34D | 3,5-DIHYDROXYBENZOATE | A,B | 2BX7 | 0.77 | |
CHB | 3-CHLORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCH | 0.71 | |
OMD | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1AJP | 0.74 | |
REF | 2,3,7,8-tetrahydroxychromeno[5,4,3- cde]chromene-5,10-dione | A | 2ZJW | 0.74 | |
3CA | A,B | 2B77 | 0.77 | ||
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.87 | |
3TN | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.74 | |
MYU | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O64 | 0.76 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.8 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.8 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.8 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.8 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.8 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.8 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.79 | |
M1S | (5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE | A | 2IWX | 0.8 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.72 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.87 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.72 | |
FDS | FLUORESCIN | H | 4FAB | 0.8 | |
FL9 | A,B | 1THC | 0.73 | ||
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BV0 | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B,D,F,H,J,L | 1YKP | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1N8Q | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B | 2BSL | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKL | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D | 1B4U | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 3DX5 | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCA | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKN | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 1EOB | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1PHH | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BUV | 0.74 | |
DXA | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE | A,B | 1CP8 | 0.75 | |
FRR | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE | A | 2E14 | 0.84 | |
BJH | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.72 | |
NAR | NARINGENIN | A,B | 2UXU | 0.83 | |
NAR | NARINGENIN | A | 2BRT | 0.83 | |
NAR | NARINGENIN | A | 1CGK | 0.83 | |
NAR | NARINGENIN | A,B | 1EYQ | 0.83 | |
2HI | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE | A | 1ZG3 | 0.81 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.71 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 3C1T | 0.76 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O63 | 0.76 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 1E90 | 0.76 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 2IOD | 0.76 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,L,R | 1Q90 | 0.76 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,G | 2E76 | 0.76 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,E,N, O,P,Q,R | 1VF5 | 0.76 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.87 | |
OAC | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.77 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.72 | |
FHI | A,B | 1Y1D | 0.8 | ||
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.7 | |
TMM | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDL | 0.72 | |
TMM | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDK | 0.72 | |
244 | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X78 | 0.71 | |
244 | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X7E | 0.71 | |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.83 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.81 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.81 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.81 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.81 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.81 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.87 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.84 | |
DBF | DIBENZOFURAN-4,6-DICARBOXYLIC ACID | B | 1DVU | 0.76 | |
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 | 0.76 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.83 | |
S1A | SORAPHEN A | A,B | 3GID | 0.72 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.72 | |
DXB | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE | A,B | 1BP8 | 0.75 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.73 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.73 | |
ERD | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE | D,F | 2NNL | 0.79 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.73 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.85 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.85 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 1FHY | 0.79 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 204D | 0.79 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 2B2B | 0.79 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 1FHZ | 0.79 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A | 203D | 0.79 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.73 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.73 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.73 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.73 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.73 | |
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 | 0.71 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.77 | |
OFF | 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID | A | 2OFF | 0.76 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.83 | |
219 | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.72 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.71 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.84 | |
GRE | 2,6-DIHYDROXYBENZOIC ACID | A,B,C,D | 2DVU | 0.82 | |
NOM | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.77 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I2Z | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C | 1FIQ | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I30 | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1PTH | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3DEU | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C,D | 2E1Q | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3HGX | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3BPX | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1WYG | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1JGS | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | X | 1M6E | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 3B9M | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1FO4 | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1Y7I | 0.79 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 2FN1 | 0.79 | |
FLV | FLAVIOLIN | A | 1ZDW | 0.77 | |
FLV | FLAVIOLIN | A | 1T93 | 0.77 | |
FLV | FLAVIOLIN | A | 2D09 | 0.77 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.74 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.7 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.7 | |
DIU | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | A,B | 3B56 | 0.76 | |
DIU | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | A | 2BXL | 0.76 | |
FHB | 3-FLUORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCF | 0.76 | |
YZ9 | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.77 | |
MOA | MYCOPHENOLIC ACID | A | 1ME7 | 0.83 | |
MOA | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.83 | |
MOA | MYCOPHENOLIC ACID | A | 1MEI | 0.83 | |
MOA | MYCOPHENOLIC ACID | A | 1MEH | 0.83 | |
NP4 | (5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE | A | 2IWS | 0.8 | |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.81 | |
MAX | MATAIRESINOL | A | 2BGM | 0.72 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3BXX | 0.77 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2O3P | 0.77 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2UXH | 0.77 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1GP6 | 0.77 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2C9Z | 0.77 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ2 | 0.77 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 3BPT | 0.77 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3CF8 | 0.77 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2HCK | 0.77 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D | 1H1I | 0.77 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1E8W | 0.77 | |
FBC | A,B | 2B9A | 0.7 | ||
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.82 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.82 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.82 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.82 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.82 | |
BVL | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.93 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.74 | |
DZN | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.78 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.77 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP6 | 0.77 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3CMP | 0.74 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MD9 | 0.74 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MDB | 0.74 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 1L6M | 0.74 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3BY0 | 0.74 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.76 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.76 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.76 | |
A04 | 5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID | A | 2Q94 | 0.75 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 146D | 0.75 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 207D | 0.75 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.85 | |
P2N | (5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE | A | 2CGF | 0.8 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.72 | |
SMA | STIGMATELLIN A | A,C,D,E,N,P, Q,R | 3H1I | 0.77 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,O,P,Q,R,S,T | 1PPJ | 0.77 | |
SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CXH | 0.77 | |
SMA | STIGMATELLIN A | C,D,E,P,Q,R | 1ZRT | 0.77 | |
SMA | STIGMATELLIN A | C,H,L,M | 2JBL | 0.77 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W | 2A06 | 0.77 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L | 2QJP | 0.77 | |
SMA | STIGMATELLIN A | A,C,D,E | 1KB9 | 0.77 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJK | 0.77 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,N,O,P,Q,R, S,T | 1PP9 | 0.77 | |
SMA | STIGMATELLIN A | C,D,E | 2IBZ | 0.77 | |
SMA | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CX5 | 0.77 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2FYN | 0.77 | |
SMA | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJY | 0.77 | |
SMA | STIGMATELLIN A | C,D,E | 1EZV | 0.77 | |
SMA | STIGMATELLIN A | C,D,E,N,O,P,W | 1KYO | 0.77 | |
SMA | STIGMATELLIN A | A,C,D,E,G,N, P,Q,R,S | 3H1J | 0.77 | |
SMA | STIGMATELLIN A | C,D,E | 1SQX | 0.77 | |
HOM | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.76 | |
NRO | 3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid | A,B | 2ZK5 | 0.71 | |
OHP | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.72 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.79 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.76 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.76 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ4 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOB | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXB | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1G1B | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1YKJ | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUV | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PBE | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCC | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PDH | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUW | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC4 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC6 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUW | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1FW9 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1G81 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGJ | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUX | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ3 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1D7L | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 2PHH | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGN | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXA | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOC | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1K0I | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BKW | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1JD3 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXC | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1TT8 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ2 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1Q4S | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BF3 | 0.78 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUR | 0.78 | |
7CA | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.76 | |
RUT | RUTIN | A,B | 1RY8 | 0.73 | |
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 | 0.71 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.77 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | D,F | 2C29 | 0.77 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.71 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.79 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.74 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.74 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.74 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B,C,D | 1VAQ | 0.74 | |
299 | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4E | 0.72 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.82 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.82 | |
SWF | S-WARFARIN | A,B | 1OG5 | 0.75 | |
SIG | STIGMATELLIN | C,D,E | 2BCC | 0.77 | |
SIG | STIGMATELLIN | C,D,E | 3BCC | 0.77 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.84 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.84 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.84 | |
HMY | (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione | A,B | 3C9W | 0.82 | |
26C | A,B | 2F7I | 0.7 | ||
FSE | 3,7,3',4'-TETRAHYDROXYFLAVONE | B | 1XO2 | 0.78 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.76 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.76 | |
4MU | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.75 | |
ZCT | A,B,C,D,E,F, G,H | 3B6A | 0.76 | ||
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.87 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.72 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.79 | |
3HP | 3-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCE | 0.75 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.71 | |
HIB | 4-HYDROXY-5-IODO-2,3-DIMETHOXY- 6-METHYLBENZOIC ACID | A | 2PIK | 0.76 | |
8MO | METHOXSALEN | A,B,C,D | 1Z11 | 0.74 | |
HXP | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.78 | |
SDN | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.78 | |
GEN | GENISTEIN | A | 1QKM | 0.86 | |
GEN | GENISTEIN | A,B | 1X7J | 0.86 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.86 | |
GEN | GENISTEIN | A | 1X7R | 0.86 | |
667 | 6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN- 3-O-SULFAMATE | A | 1TTM | 0.71 | |
SN1 | 2,4-DIHYDROXY-TRANS CINNAMIC ACID | 1 | 1K2I | 0.77 | |
397 | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.73 | |
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 | 0.72 | |
HHH | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.73 | |
MYF | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O65 | 0.78 | |
IHB | 3-IODO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCI | 0.76 | |
C17 | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.71 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.82 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.82 | |
KOM | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.72 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.7 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.79 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.79 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIT | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ1 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIU | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PKL | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 3D57 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ2 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2QPY | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ0 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NUO | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 2PIN | 0.72 |