Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02289490
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 |
TNC | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY- 3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE- 2-CARBOXYLIC ACID AMIDE | A,B | 1N5Q | 0.73 |  |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.7 | |
| DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.7 | |
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 | 0.77 | |
DM5 | IDARUBICIN | A,B,D | 198D | 0.71 | |
| DM5 | IDARUBICIN | A | 1D38 | 0.71 | |
| DM5 | IDARUBICIN | A | 1D67 | 0.71 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.71 | |
MIY | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)- 3,10,12,12A-TETRAHYDROXY-1,11-DIOXO- 1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE- 2-CARBOXAMIDE | A | 2DRD | 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 | 0.77 | |
ECA | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.72 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.73 | |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.72 | |
DB1 | 2,3-DIHYDROXYBENZAMIDE | A,B,C | 1X71 | 0.72 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.77 | |
SGI | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.7 | |
| SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.7 | |
| SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.7 | |
| SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.7 | |
| SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.7 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.75 | |
| NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.75 | |
DXT | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)- 3,5,10,12,12A-PENTAHYDROXY-6-METHYL- 1,11-DIOXO-1,4,4A,5,5A,6,11,12A- OCTAHYDROTETRACENE-2-CARBOXAMIDE | A | 2O7O | 0.78 | |
D2C | (2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)- 7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12- TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A- DODECAHYDROTETRACENE-2-CARBOXAMIDE | A,D,M,N,Z | 2F4V | 0.72 | |
TAC | TETRACYCLINE | A,B,C,D,E,F, G,H,I,J,K,L | 2HDN | 0.79 | |
| TAC | TETRACYCLINE | A | 2VKE | 0.79 | |
| TAC | TETRACYCLINE | A | 2TRT | 0.79 | |
| TAC | TETRACYCLINE | B | 2UXO | 0.79 | |
| TAC | TETRACYCLINE | A,B,D,E,G,H, J,K,L,N,P,Q, R,T | 1I97 | 0.79 | |
| TAC | TETRACYCLINE | A,D,H,N | 1HNW | 0.79 | |
| TAC | TETRACYCLINE | A,B | 2HCJ | 0.79 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.72 | |
| BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.74 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.74 | |
CTC | 7-CHLOROTETRACYCLINE | A | 1BJ0 | 0.73 | |
| CTC | 7-CHLOROTETRACYCLINE | A,B | 1BJY | 0.73 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 2FJ1 | 0.73 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 1DU7 | 0.73 | |
| CTC | 7-CHLOROTETRACYCLINE | A,B | 3EGZ | 0.73 | |
| CTC | 7-CHLOROTETRACYCLINE | A | 2TCT | 0.73 | |
MNY | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.72 | |
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 | 0.77 | |
| 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 | 0.77 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.7 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.7 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.76 | |
SDN | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.72 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.7 | |
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.82 | |
| TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.82 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.7 | |
FLV | FLAVIOLIN | A | 1ZDW | 0.73 | |
| FLV | FLAVIOLIN | A | 1T93 | 0.73 | |
| FLV | FLAVIOLIN | A | 2D09 | 0.73 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.74 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.72 | |