Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03148682
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 | 0.77 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.77 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.71 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.71 | ![]() |
JUG![]() | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.81 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.7 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.7 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.77 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.7 | ![]() |
QSO![]() | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.71 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.82 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.82 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.82 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.82 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.82 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.82 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.82 | ![]() |
FHI![]() | A,B | 1Y1D | 0.71 | ![]() | |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.79 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.79 | ![]() |
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 | 0.73 | ![]() |
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 | ![]() |
HMO![]() | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 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 | ![]() |
GEN![]() | GENISTEIN | A | 1QKM | 0.71 | ![]() |
GEN![]() | GENISTEIN | A,B | 1X7J | 0.71 | ![]() |
GEN![]() | GENISTEIN | A,B | 2QA8 | 0.71 | ![]() |
GEN![]() | GENISTEIN | A | 1X7R | 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 | 0.73 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.74 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.74 | ![]() |
AFI![]() | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.71 | ![]() |
299![]() | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4E | 0.71 | ![]() |
262![]() | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4D | 0.71 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.72 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | X | 2O48 | 0.72 | ![]() |
PSN![]() | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.75 | ![]() |
G50![]() | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.75 | ![]() |
NOM![]() | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.72 | ![]() |
BHF![]() | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.76 | ![]() |
DFL![]() | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.7 | ![]() |
SDN![]() | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.74 | ![]() |
ADL![]() | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.82 | ![]() |
ESO![]() | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 2I2Z | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B,C | 1FIQ | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 2I30 | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 1PTH | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 3DEU | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B,C,D | 2E1Q | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 3HGX | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 3BPX | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 1WYG | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 1JGS | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | X | 1M6E | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 3B9M | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 1FO4 | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 1Y7I | 0.71 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 2FN1 | 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 | 146D | 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 | 207D | 0.73 | ![]() |
9TA![]() | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.71 | ![]() |
HCC![]() | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.75 | ![]() |
2PB![]() | 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE | A | 1SDE | 0.71 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.72 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.72 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.72 | ![]() |
OAL![]() | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.83 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.71 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3CMP | 0.7 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MD9 | 0.7 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MDB | 0.7 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 1L6M | 0.7 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3BY0 | 0.7 | ![]() |
AZN![]() | ALIZARIN RED | H,I,J,K,L,M, N,O | 1OAR | 0.8 | ![]() |
FLV![]() | FLAVIOLIN | A | 1ZDW | 0.75 | ![]() |
FLV![]() | FLAVIOLIN | A | 1T93 | 0.75 | ![]() |
FLV![]() | FLAVIOLIN | A | 2D09 | 0.75 | ![]() |
DBE![]() | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.75 | ![]() |
219![]() | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.73 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.71 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.71 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.71 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.71 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.71 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.71 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.71 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.71 | ![]() |
789![]() | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.74 | ![]() |
FLN![]() | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.76 | ![]() |
23A![]() | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.71 | ![]() |