Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03540427
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 | 0.71 | |
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 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.71 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.71 | |
OBP | A,B | 2DE3 | 0.73 | ||
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.72 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.76 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.7 | |
AZN | ALIZARIN RED | H,I,J,K,L,M, N,O | 1OAR | 0.86 | |
EQU | EQUILENIN | A,B | 1OGX | 0.73 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.73 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.73 | |
EQU | EQUILENIN | A | 1W6Y | 0.73 | |
EQU | EQUILENIN | A,B | 1CQS | 0.73 | |
EQU | EQUILENIN | A | 1OGZ | 0.73 | |
EQU | EQUILENIN | A | 1GS3 | 0.73 | |
EQU | EQUILENIN | A | 1OHO | 0.73 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.76 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.76 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.76 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.76 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.76 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.76 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.76 | |
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 | 0.71 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.74 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.73 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 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 | 0.71 | |
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 | 0.71 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.72 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.72 | |
ANF | ANTHRONE | H | 2BJM | 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 | 0.71 | |
184 | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.71 | |
LZ2 | 5-hydroxynaphthalene-1-sulfonamide | A | 2VTH | 0.75 | |
A15 | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.71 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.71 | |
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 | 0.71 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.77 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.77 | |
789 | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.72 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.72 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.76 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.76 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.72 | |
SDN | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.7 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.72 |