Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02629242
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 |
DB1 | 2,3-DIHYDROXYBENZAMIDE | A,B,C | 1X71 | 0.73 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.74 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.74 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.74 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.74 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.74 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.71 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.71 | |
1BA | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE | A | 2GPP | 0.77 | |
3BE | 3-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DOZ | 0.83 | |
FLV | FLAVIOLIN | A | 1ZDW | 0.71 | |
FLV | FLAVIOLIN | A | 1T93 | 0.71 | |
FLV | FLAVIOLIN | A | 2D09 | 0.71 | |
IFA | A,B | 3FC8 | 0.71 | ||
4BE | 4-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DP2 | 0.82 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.71 | |
ECA | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.7 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.74 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.73 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.75 | |
PY9 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.76 | |
K05 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN- 1-YL)METHYLENE]BENZOHYDRAZIDE | A,B | 2I5J | 0.77 | |
IFB | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.71 | |
2BC | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene- 2-carbohydrazide | A,B,C,D,E,F | 3DP0 | 0.79 | |
2BE | 4-chloro-N'-[(1E)-(3,5-dibromo- 2,4-dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DOY | 0.78 | |
BJH | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.72 | |
2RB | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]- 4-methoxybenzohydrazide | A,B,C,D,E,F | 3DP1 | 0.79 | |
4BB | 4-tert-butyl-N'-[(1E)-(3,5-dibromo- 2,4-dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DP3 | 0.82 | |
D3P | (2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.71 | |
D3P | (2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.71 |