Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02262661
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 | |
AZN | ALIZARIN RED | H,I,J,K,L,M, N,O | 1OAR | 0.72 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1K03 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 2VQ5 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1EB9 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 2GQ9 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1Z42 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1OYB | 0.7 | |
34D | 3,5-DIHYDROXYBENZOATE | A,B | 2BX7 | 0.7 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.75 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.75 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BV0 | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B,D,F,H,J,L | 1YKP | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1N8Q | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B | 2BSL | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKL | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D | 1B4U | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 3DX5 | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCA | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKN | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 1EOB | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1PHH | 0.72 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BUV | 0.72 | |
FBR | (9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one | A | 2GIU | 0.77 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.71 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.73 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.8 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.8 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.8 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.8 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.8 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.8 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.8 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.7 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.7 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.7 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.77 | |
EST | ESTRADIOL | A,B | 1GWR | 0.7 | |
EST | ESTRADIOL | A | 1FDS | 0.7 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.7 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.7 | |
EST | ESTRADIOL | A,B | 1A52 | 0.7 | |
EST | ESTRADIOL | A | 1FDT | 0.7 | |
EST | ESTRADIOL | A | 2OCF | 0.7 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.7 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.7 | |
EST | ESTRADIOL | A | 1IOL | 0.7 | |
EST | ESTRADIOL | H | 1JNN | 0.7 | |
EST | ESTRADIOL | B | 1QKT | 0.7 | |
EST | ESTRADIOL | A | 1FDW | 0.7 | |
EST | ESTRADIOL | A,B | 1AQU | 0.7 | |
EST | ESTRADIOL | A | 1LHU | 0.7 | |
EST | ESTRADIOL | A | 1A27 | 0.7 | |
EST | ESTRADIOL | L | 1JGL | 0.7 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.7 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.7 | |
EST | ESTRADIOL | A | 2J7X | 0.7 | |
EST | ESTRADIOL | A,B | 2D06 | 0.7 | |
789 | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.79 | |
23A | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.73 | |
HZ3 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.71 | |
KMP | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 1H1M | 0.71 | |
KMP | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2C1Z | 0.71 | |
MYU | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O64 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ4 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOB | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXB | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1G1B | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1YKJ | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUV | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PBE | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCC | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PDH | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUW | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC4 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC6 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUW | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1FW9 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1G81 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGJ | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUX | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ3 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1D7L | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 2PHH | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGN | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXA | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOC | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1K0I | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BKW | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1JD3 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXC | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1TT8 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ2 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1Q4S | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BF3 | 0.71 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUR | 0.71 | |
HE7 | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.74 | |
SDT | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.78 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOD | 0.72 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOE | 0.72 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1PBB | 0.72 | |
GRE | 2,6-DIHYDROXYBENZOIC ACID | A,B,C,D | 2DVU | 0.72 | |
EQU | EQUILENIN | A,B | 1OGX | 0.77 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.77 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.77 | |
EQU | EQUILENIN | A | 1W6Y | 0.77 | |
EQU | EQUILENIN | A,B | 1CQS | 0.77 | |
EQU | EQUILENIN | A | 1OGZ | 0.77 | |
EQU | EQUILENIN | A | 1GS3 | 0.77 | |
EQU | EQUILENIN | A | 1OHO | 0.77 | |
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 | 0.74 | |
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.74 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.74 | |
EQI | EQUILIN | A,B | 1EQU | 0.78 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.81 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.79 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.7 | |
ZCT | A,B,C,D,E,F, G,H | 3B6A | 0.72 | ||
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.8 | |
MOA | MYCOPHENOLIC ACID | A | 1ME7 | 0.7 | |
MOA | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.7 | |
MOA | MYCOPHENOLIC ACID | A | 1MEI | 0.7 | |
MOA | MYCOPHENOLIC ACID | A | 1MEH | 0.7 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.72 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.72 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.82 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I2Z | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C | 1FIQ | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I30 | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1PTH | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3DEU | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C,D | 2E1Q | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3HGX | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3BPX | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1WYG | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1JGS | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | X | 1M6E | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 3B9M | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1FO4 | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1Y7I | 0.73 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 2FN1 | 0.73 | |
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 | 0.74 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.79 | |
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 | 0.74 | |
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 | 0.74 | |
397 | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 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 | 0.72 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.72 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.72 | |
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 | 0.72 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.76 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.76 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.73 | |
3CA | A,B | 2B77 | 0.71 | ||
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.78 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.78 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.7 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.82 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.82 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3CMP | 0.74 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MD9 | 0.74 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MDB | 0.74 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 1L6M | 0.74 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3BY0 | 0.74 | |
3HP | 3-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCE | 0.72 | |
FLV | FLAVIOLIN | A | 1ZDW | 0.78 | |
FLV | FLAVIOLIN | A | 1T93 | 0.78 | |
FLV | FLAVIOLIN | A | 2D09 | 0.78 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.71 | |
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 | 0.73 | |
NAR | NARINGENIN | A,B | 2UXU | 0.7 | |
NAR | NARINGENIN | A | 2BRT | 0.7 | |
NAR | NARINGENIN | A | 1CGK | 0.7 | |
NAR | NARINGENIN | A,B | 1EYQ | 0.7 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 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 | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.7 | |
ESO | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.73 | |
OMD | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1AJP | 0.76 | |
NOM | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.74 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.73 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.73 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 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 | 0.7 | |
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 | |
OHP | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.73 | |
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 | 0.72 | |
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 | ||
OAC | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.71 | |
MYF | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O65 | 0.7 | |
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 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.73 |