Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03322242
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 |
JUG![]() | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.76 | ![]() |
3CA![]() | A,B | 2B77 | 0.78 | ![]() | |
A15![]() | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.77 | ![]() |
AFI![]() | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.8 | ![]() |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.72 | ![]() |
AZN![]() | ALIZARIN RED | H,I,J,K,L,M, N,O | 1OAR | 0.7 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.79 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.79 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.72 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.71 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.71 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.71 | ![]() |
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 | 0.71 | ![]() |
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 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.75 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.72 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.72 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.72 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.72 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.72 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.72 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.72 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.72 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.74 | ![]() |
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 | ![]() |
4NA![]() | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.77 | ![]() |
C2U![]() | 3,5-dichloro-2-hydroxybenzoic acid | A | 3C3U | 0.7 | ![]() |
C2U![]() | 3,5-dichloro-2-hydroxybenzoic acid | A | 3CV7 | 0.7 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.71 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.71 | ![]() |
BHF![]() | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.76 | ![]() |
DBE![]() | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.7 | ![]() |
FLV![]() | FLAVIOLIN | A | 1ZDW | 0.7 | ![]() |
FLV![]() | FLAVIOLIN | A | 1T93 | 0.7 | ![]() |
FLV![]() | FLAVIOLIN | A | 2D09 | 0.7 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.72 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.72 | ![]() |
GA9![]() | 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)- 7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN- 1-ONE | A,B,C,D | 2A9W | 0.73 | ![]() |
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 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.71 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.76 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.76 | ![]() |
OAL![]() | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.83 | ![]() |
ADL![]() | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.81 | ![]() |
G50![]() | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.7 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.78 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.78 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.78 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.78 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.78 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.78 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.78 | ![]() |
ZCT![]() | A,B,C,D,E,F, G,H | 3B6A | 0.71 | ![]() | |
973![]() | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE | A | 2Q85 | 0.7 | ![]() |
HCC![]() | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.7 | ![]() |