Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02405642
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 |
ZCT | A,B,C,D,E,F, G,H | 3B6A | 0.73 | ||
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.85 | |
ECA | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.74 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.72 | |
3CA | A,B | 2B77 | 0.7 | ||
SDT | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.73 | |
EQU | EQUILENIN | A,B | 1OGX | 0.74 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.74 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.74 | |
EQU | EQUILENIN | A | 1W6Y | 0.74 | |
EQU | EQUILENIN | A,B | 1CQS | 0.74 | |
EQU | EQUILENIN | A | 1OGZ | 0.74 | |
EQU | EQUILENIN | A | 1GS3 | 0.74 | |
EQU | EQUILENIN | A | 1OHO | 0.74 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.73 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.73 | |
DM5 | IDARUBICIN | A,B,D | 198D | 0.71 | |
DM5 | IDARUBICIN | A | 1D38 | 0.71 | |
DM5 | IDARUBICIN | A | 1D67 | 0.71 | |
A15 | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSL | 0.72 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.79 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.73 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.73 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.73 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.73 | |
184 | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.72 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.73 | |
ANF | ANTHRONE | H | 2BJM | 0.72 | |
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 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BV0 | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B,D,F,H,J,L | 1YKP | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1N8Q | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A,B | 2BSL | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKL | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D | 1B4U | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 3DX5 | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCA | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B,D,F,H,J,L | 1YKN | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 1EOB | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | A | 1PHH | 0.74 | |
DHB | 3,4-DIHYDROXYBENZOIC ACID | B | 2BUV | 0.74 | |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 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 | 0.79 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 207D | 0.79 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.82 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.82 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.75 | |
SIG | STIGMATELLIN | C,D,E | 2BCC | 0.71 | |
SIG | STIGMATELLIN | C,D,E | 3BCC | 0.71 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOD | 0.7 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOE | 0.7 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1PBB | 0.7 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 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 | 0.79 | |
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 | |
FHI | A,B | 1Y1D | 0.72 | ||
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.73 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.73 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 3C1T | 0.73 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O63 | 0.73 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 1E90 | 0.73 | |
MYC | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 2IOD | 0.73 | |
NOM | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.72 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.7 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.85 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.85 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.85 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.85 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.85 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.85 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.85 | |
FLV | FLAVIOLIN | A | 1ZDW | 0.77 | |
FLV | FLAVIOLIN | A | 1T93 | 0.77 | |
FLV | FLAVIOLIN | A | 2D09 | 0.77 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.71 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.71 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3CMP | 0.75 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MD9 | 0.75 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MDB | 0.75 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 1L6M | 0.75 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3BY0 | 0.75 | |
MYF | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O65 | 0.74 | |
FDS | FLUORESCIN | H | 4FAB | 0.7 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.76 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.77 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.7 | |
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 | 0.79 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.72 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP6 | 0.72 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.72 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.72 | |
SDN | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.75 | |
AZN | ALIZARIN RED | H,I,J,K,L,M, N,O | 1OAR | 0.81 | |
ERD | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE | D,F | 2NNL | 0.74 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.7 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.7 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.7 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.72 | |
FSE | 3,7,3',4'-TETRAHYDROXYFLAVONE | B | 1XO2 | 0.74 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.73 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.83 | |
GEN | GENISTEIN | A | 1QKM | 0.73 | |
GEN | GENISTEIN | A,B | 1X7J | 0.73 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.73 | |
GEN | GENISTEIN | A | 1X7R | 0.73 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.77 | |
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 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.74 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.74 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.74 | |
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 | 0.74 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.72 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | D,F | 2C29 | 0.72 | |
MYU | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O64 | 0.74 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.82 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.82 | |
REF | 2,3,7,8-tetrahydroxychromeno[5,4,3- cde]chromene-5,10-dione | A | 2ZJW | 0.71 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 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 | 0.72 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.7 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.82 | |
789 | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.74 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3BXX | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2O3P | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2UXH | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1GP6 | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2C9Z | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ2 | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 3BPT | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3CF8 | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2HCK | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D | 1H1I | 0.73 | |
QUE | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1E8W | 0.73 | |
23A | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.76 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.7 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.73 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.77 |