Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02429310
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 |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.81 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.81 | ![]() |
EQI![]() | EQUILIN | A,B | 1EQU | 0.73 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.77 | ![]() |
3CA![]() | A,B | 2B77 | 0.7 | ![]() | |
3TN![]() | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.73 | ![]() |
FDS![]() | FLUORESCIN | H | 4FAB | 0.71 | ![]() |
A15![]() | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.7 | ![]() |
BHF![]() | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.77 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.78 | ![]() |
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 | ![]() |
TDC![]() | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.72 | ![]() |
TDC![]() | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.72 | ![]() |
FLV![]() | FLAVIOLIN | A | 1ZDW | 0.76 | ![]() |
FLV![]() | FLAVIOLIN | A | 1T93 | 0.76 | ![]() |
FLV![]() | FLAVIOLIN | A | 2D09 | 0.76 | ![]() |
DM7![]() | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.72 | ![]() |
DM7![]() | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.72 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.74 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | X | 2O48 | 0.74 | ![]() |
G50![]() | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.76 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.84 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.84 | ![]() |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.75 | ![]() |
SDT![]() | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.7 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.75 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.75 | ![]() |
5TN![]() | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1V | 0.7 | ![]() |
DM1![]() | DAUNOMYCIN | A | 152D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A,B,C,D | 1O0K | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1JO2 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A,B | 308D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D33 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 110D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D11 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 427D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 2D34 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 3F8F | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D10 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1DA0 | 0.71 | ![]() |
DM4![]() | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.72 | ![]() |
ADL![]() | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.86 | ![]() |
JUG![]() | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.8 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.73 | ![]() |
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 | 0.84 | ![]() |
NCZ![]() | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.72 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3CMP | 0.71 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MD9 | 0.71 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MDB | 0.71 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 1L6M | 0.71 | ![]() |
DBH![]() | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3BY0 | 0.71 | ![]() |
MUF![]() | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.76 | ![]() |
ODE![]() | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.71 | ![]() |
DM3![]() | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.71 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.84 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D15 | 0.71 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D54 | 0.71 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D58 | 0.71 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1QDA | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 2DR6 | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1P20 | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1I1E | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 151D | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1D12 | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1DA9 | 0.71 | ![]() |
ZCT![]() | A,B,C,D,E,F, G,H | 3B6A | 0.77 | ![]() | |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.78 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.78 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.78 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.78 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.78 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.78 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.78 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.78 | ![]() |
OMD![]() | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1AJP | 0.72 | ![]() |
SIG![]() | STIGMATELLIN | C,D,E | 2BCC | 0.71 | ![]() |
SIG![]() | STIGMATELLIN | C,D,E | 3BCC | 0.71 | ![]() |
AZN![]() | ALIZARIN RED | H,I,J,K,L,M, N,O | 1OAR | 0.75 | ![]() |
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 | 0.84 | ![]() |
23A![]() | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.7 | ![]() |
HCC![]() | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.76 | ![]() |
MNY![]() | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.7 | ![]() |
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 | 0.84 | ![]() |
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 | 0.84 | ![]() |
NOM![]() | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.72 | ![]() |
ESO![]() | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.7 | ![]() |
BVL![]() | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.74 | ![]() |
DBE![]() | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.77 | ![]() |
254![]() | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FD0 | 0.71 | ![]() |
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 | 0.75 | ![]() |
HMO![]() | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.74 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.71 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.71 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.72 | ![]() |
369![]() | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.71 | ![]() |
AFI![]() | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.75 | ![]() |
AKT![]() | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.72 | ![]() |
HE7![]() | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 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 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.78 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.78 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.78 | ![]() |
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 | 0.78 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.76 | ![]() |
ERT![]() | METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY- 7-METHOXY-6,11-DIOXO-4-{[2,3,6- TRIDEOXY-3-(DIMETHYLAMINO)-BETA- D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H- TETRACENE-1-CARBOXYLATE | A,B | 1TW2 | 0.71 | ![]() |
ERT![]() | METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY- 7-METHOXY-6,11-DIOXO-4-{[2,3,6- TRIDEOXY-3-(DIMETHYLAMINO)-BETA- D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H- TETRACENE-1-CARBOXYLATE | A,B | 1TW3 | 0.71 | ![]() |
VII![]() | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.71 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.86 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.86 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.86 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.86 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.86 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.86 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.86 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.72 | ![]() | |
OAL![]() | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.87 | ![]() |
QSO![]() | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.74 | ![]() |
GEN![]() | GENISTEIN | A | 1QKM | 0.72 | ![]() |
GEN![]() | GENISTEIN | A,B | 1X7J | 0.72 | ![]() |
GEN![]() | GENISTEIN | A,B | 2QA8 | 0.72 | ![]() |
GEN![]() | GENISTEIN | A | 1X7R | 0.72 | ![]() |
4TN![]() | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.71 | ![]() |
789![]() | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.73 | ![]() |
SDN![]() | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.77 | ![]() |
FHI![]() | A,B | 1Y1D | 0.73 | ![]() | |
NPS![]() | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.7 | ![]() |
44D![]() | 7-[5-(4-AMINO-5-HYDROXY-6-METHYL- TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY- 6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]- 6,9,11-TRIHYDROXY-9-(2-HYDROXY- ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE- 5,12-DIONE | A,B | 1NAB | 0.72 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.74 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.74 | ![]() |
SAK![]() | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.7 | ![]() |
DM5![]() | IDARUBICIN | A,B,D | 198D | 0.73 | ![]() |
DM5![]() | IDARUBICIN | A | 1D38 | 0.73 | ![]() |
DM5![]() | IDARUBICIN | A | 1D67 | 0.73 | ![]() |