Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00753820
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 |
23A | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.74 | |
MOA | MYCOPHENOLIC ACID | A | 1ME7 | 0.74 | |
MOA | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.74 | |
MOA | MYCOPHENOLIC ACID | A | 1MEI | 0.74 | |
MOA | MYCOPHENOLIC ACID | A | 1MEH | 0.74 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.71 | |
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 | 0.72 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.74 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.71 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.71 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.71 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.71 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.77 | |
300 | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.8 | |
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 | 0.71 | |
LY2 | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1YI3 | 0.74 | |
LY2 | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1E7V | 0.74 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.76 | |
FHI | A,B | 1Y1D | 0.71 | ||
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.73 | |
219 | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.76 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.72 | |
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 | |
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 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.73 | |
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 | 0.74 | |
2HI | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE | A | 1ZG3 | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 1FHY | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 204D | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 2B2B | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 1FHZ | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A | 203D | 0.71 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1K03 | 0.73 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 2VQ5 | 0.73 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1EB9 | 0.73 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 2GQ9 | 0.73 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1Z42 | 0.73 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1OYB | 0.73 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.72 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.73 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.73 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.77 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.77 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.77 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.77 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.77 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.76 | |
299 | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4E | 0.81 | |
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 | |
GEN | GENISTEIN | A | 1QKM | 0.76 | |
GEN | GENISTEIN | A,B | 1X7J | 0.76 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.76 | |
GEN | GENISTEIN | A | 1X7R | 0.76 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.7 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.7 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.71 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.72 | |
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 | 0.72 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.73 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.73 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.75 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.75 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.72 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.72 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.75 | |
NAR | NARINGENIN | A,B | 2UXU | 0.72 | |
NAR | NARINGENIN | A | 2BRT | 0.72 | |
NAR | NARINGENIN | A | 1CGK | 0.72 | |
NAR | NARINGENIN | A,B | 1EYQ | 0.72 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.74 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.77 | |
VXX | VANILLATE | A,B | 1WB6 | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I2Z | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C | 1FIQ | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I30 | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1PTH | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3DEU | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C,D | 2E1Q | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3HGX | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3BPX | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1WYG | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1JGS | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | X | 1M6E | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 3B9M | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1FO4 | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1Y7I | 0.71 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 2FN1 | 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 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.71 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.71 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.71 | |
262 | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4D | 0.75 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.7 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.72 | |
SB8 | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.7 | |
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 | |
BZF | BENZOFURAN | A | 182L | 0.75 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.74 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.77 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.77 | |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.73 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.71 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.71 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.72 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.72 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.72 | |
DBF | DIBENZOFURAN-4,6-DICARBOXYLIC ACID | B | 1DVU | 0.72 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.79 | |
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 | 0.78 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.73 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.73 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.73 | |
SDN | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.7 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.78 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.71 |