Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02501281
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 |
JUG![]() | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.71 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.78 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.78 | ![]() |
ADL![]() | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.75 | ![]() |
OAL![]() | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.75 | ![]() |
DOB![]() | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOD | 0.73 | ![]() |
DOB![]() | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOE | 0.73 | ![]() |
DOB![]() | 2,4-DIHYDROXYBENZOIC ACID | A | 1PBB | 0.73 | ![]() |
5PH![]() | 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- 5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY- BENZOIC ACID | A | 1RWV | 0.73 | ![]() |
GRE![]() | 2,6-DIHYDROXYBENZOIC ACID | A,B,C,D | 2DVU | 0.73 | ![]() |
QSO![]() | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.71 | ![]() |
DIU![]() | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | A,B | 3B56 | 0.72 | ![]() |
DIU![]() | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | A | 2BXL | 0.72 | ![]() |
FHI![]() | A,B | 1Y1D | 0.76 | ![]() | |
G50![]() | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.76 | ![]() |
159![]() | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)- BENZOIC ACID | A,B | 1NME | 0.76 | ![]() |
EMT![]() | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B | 1KDG | 0.71 | ![]() |
EMT![]() | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B,C,D | 1O9L | 0.71 | ![]() |
L41![]() | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.7 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.75 | ![]() |
HMO![]() | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.71 | ![]() |
3CA![]() | A,B | 2B77 | 0.73 | ![]() | |
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 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 2I2Z | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B,C | 1FIQ | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 2I30 | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 1PTH | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 3DEU | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B,C,D | 2E1Q | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 3HGX | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 3BPX | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 1WYG | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 1JGS | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | X | 1M6E | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 3B9M | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 1FO4 | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 1Y7I | 0.75 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 2FN1 | 0.75 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.71 | ![]() |
OBP![]() | A,B | 2DE3 | 0.72 | ![]() | |
HCC![]() | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.76 | ![]() |
AZN![]() | ALIZARIN RED | H,I,J,K,L,M, N,O | 1OAR | 0.79 | ![]() |
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 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.73 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.77 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.77 | ![]() |
161![]() | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID | A,B | 1NMS | 0.71 | ![]() |
SDN![]() | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 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 | 0.71 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.71 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.71 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.71 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | X | 2O48 | 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 | 0.7 | ![]() |
DBE![]() | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.74 | ![]() |
MUF![]() | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.72 | ![]() |
HZ3![]() | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.73 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.7 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.7 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.7 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.7 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.7 | ![]() |