Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01745768
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 |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.75 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.75 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.75 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.71 | |
PY9 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.72 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.71 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.73 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.73 | |
MR2 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSM | 0.76 | |
HAB | A,B | 1SRE | 0.74 | ||
FLV | FLAVIOLIN | A | 1ZDW | 0.71 | |
FLV | FLAVIOLIN | A | 1T93 | 0.71 | |
FLV | FLAVIOLIN | A | 2D09 | 0.71 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.71 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.71 | |
NAB | A,B | 1SRJ | 0.7 | ||
BXZ | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol- 3-yl)benzene-1,3-diol | A | 3BM9 | 0.73 | |
MTB | A,B | 1SRF | 0.73 | ||
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 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.72 | |
HNA | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.83 | |
797 | 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL- 6-OL | A,B | 1U3S | 0.73 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.71 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.71 | |
BIE | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE | A,B | 2CL5 | 0.78 | |
DMB | A,B | 1SRI | 0.73 | ||
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.79 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.74 | |
TYQ | 3-AMINO-6-HYDROXY-TYROSINE | A,B | 1D6Y | 0.73 | |
TYQ | 3-AMINO-6-HYDROXY-TYROSINE | A,B | 1D6U | 0.73 | |
272 | 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3- YL)BENZENE-1,3-DIOL | A,B,C,D | 1U3Q | 0.78 | |
2TY | 2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE | A,B | 2CWV | 0.71 | |
B23 | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.73 | |
MHB | A,B | 1SRG | 0.74 | ||
135 | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.71 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.76 | |
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 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 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 | |
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 | |
MNX | 1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE | A | 1M2Q | 0.81 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.72 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.78 | |
MNY | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.74 |