Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00645161
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 |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.72 |  |
| NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.72 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.76 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.73 | |
| AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.73 | |
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.72 | |
| 3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.72 | |
NE1 | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.76 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.72 | |
EQU | EQUILENIN | A,B | 1OGX | 0.75 | |
| EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.75 | |
| EQU | EQUILENIN | A,B | 1OH0 | 0.75 | |
| EQU | EQUILENIN | A | 1W6Y | 0.75 | |
| EQU | EQUILENIN | A,B | 1CQS | 0.75 | |
| EQU | EQUILENIN | A | 1OGZ | 0.75 | |
| EQU | EQUILENIN | A | 1GS3 | 0.75 | |
| EQU | EQUILENIN | A | 1OHO | 0.75 | |
A15 | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.77 | |
EQI | EQUILIN | A,B | 1EQU | 0.74 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.73 | |
| PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.73 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.72 | |
| ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.72 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.7 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.73 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.72 | |
| 1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.72 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.73 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.71 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.78 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.78 | |
973 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE | A | 2Q85 | 0.71 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.73 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.75 | |
| 3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.75 | |
| 3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.75 | |
| 3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.75 | |
| 3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.75 | |
4NA | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 0.77 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.71 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.72 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.7 | |
| OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.7 | |
| OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.7 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.75 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.75 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.75 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.75 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.75 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.75 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.75 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.84 | |
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 | 0.73 | |
HSI | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.72 | |
3CA | A,B | 2B77 | 0.81 | | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | |
34Z | 3,4-dichlorobenzoate | X | 2QVY | 0.75 | |
| 34Z | 3,4-dichlorobenzoate | X | 2QW0 | 0.75 | |
ESO | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.7 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.78 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.71 | |
| 3BZ | 3-chlorobenzoate | X | 2QVX | 0.71 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.71 | |
NE2 | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.76 | |
IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAV | 0.73 | |
| IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAX | 0.73 | |
789 | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.77 | |
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.71 | |
| 174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.71 | |
GA9 | 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)- 7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN- 1-ONE | A,B,C,D | 2A9W | 0.72 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.75 | |
| BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.75 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.72 | |
CHB | 3-CHLORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCH | 0.75 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3C3U | 0.71 | |
| C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3CV7 | 0.71 | |