Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02548416
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 |
FL8 | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE | B,C | 1KGJ | 0.76 | |
R02 | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE | A,B,C | 1H37 | 0.77 | |
BZF | BENZOFURAN | A | 182L | 0.71 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A | 1W6J | 0.85 | |
R71 | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | A,B,C | 1GSZ | 0.85 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.7 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.7 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.71 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.72 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.72 | |
DTC | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.72 | |
R88 | (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE | A,B,C | 1H36 | 0.82 | |
R17 | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.71 | |
VXX | VANILLATE | A,B | 1WB6 | 0.7 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.72 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.74 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.74 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.71 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.77 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.74 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.74 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.7 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.7 | |
U01 | 3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE | A | 1UPJ | 0.75 | |
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 | 0.76 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.78 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.78 | |
FL9 | A,B | 1THC | 0.74 | ||
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.7 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.71 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.72 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.72 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.72 | |
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 | |
FHB | 3-FLUORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCF | 0.71 | |
GEN | GENISTEIN | A | 1QKM | 0.74 | |
GEN | GENISTEIN | A,B | 1X7J | 0.74 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.74 | |
GEN | GENISTEIN | A | 1X7R | 0.74 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.77 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.74 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.72 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.72 | |
OEF | 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID | A | 2J4A | 0.74 | |
789 | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.75 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.7 | |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.73 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.72 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.74 | |
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 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.72 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.74 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.7 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.7 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.7 |