Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03385218
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 |
MUG![]() | 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE | A,B,C,D | 1CJP | 0.73 | ![]() |
7CA![]() | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.75 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H | 2BFV | 0.83 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H,L | 1BFV | 0.83 | ![]() |
NCZ![]() | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.75 | ![]() |
GGT![]() | Trioxacarcin A | A,B | 3C2J | 0.71 | ![]() |
G24![]() | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.72 | ![]() |
HXP![]() | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.71 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.73 | ![]() |
OEF![]() | 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID | A | 2J4A | 0.73 | ![]() |
AZ2![]() | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.71 | ![]() |
AZ2![]() | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.71 | ![]() |
E3G![]() | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.82 | ![]() |
113![]() | 7,8-DIHYDROXY-1-METHOXY-3-METHYL- 10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3- B]CHROMENE-9-CARBOXYLIC ACID | A,B | 1KR3 | 0.71 | ![]() |
113![]() | 7,8-DIHYDROXY-1-METHOXY-3-METHYL- 10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3- B]CHROMENE-9-CARBOXYLIC ACID | A,B | 1HLK | 0.71 | ![]() |
U01![]() | 3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE | A | 1UPJ | 0.71 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.75 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.75 | ![]() |
DQH![]() | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.73 | ![]() |
DQH![]() | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | D,F | 2C29 | 0.73 | ![]() |
FRR![]() | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE | A | 2E14 | 0.71 | ![]() |
HMY![]() | (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione | A,B | 3C9W | 0.71 | ![]() |
CA2![]() | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2BT4 | 0.75 | ![]() |
FL8![]() | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE | B,C | 1KGJ | 0.72 | ![]() |
POD![]() | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)- 5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3- D][1,3]DIOXOL-6(5AH)-ONE | A,B,C,D | 1SA1 | 0.73 | ![]() |
ERD![]() | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE | D,F | 2NNL | 0.7 | ![]() |
L41![]() | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.71 | ![]() |
DH2![]() | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.73 | ![]() |
DH2![]() | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP6 | 0.73 | ![]() |
DZN![]() | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.74 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.71 | ![]() |
RUT![]() | RUTIN | A,B | 1RY8 | 0.74 | ![]() |
2HI![]() | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE | A | 1ZG3 | 0.72 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.74 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.74 | ![]() |
MGI![]() | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.7 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 276D | 0.71 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 288D | 0.71 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 277D | 0.71 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 380D | 0.71 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 381D | 0.71 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 278D | 0.71 | ![]() |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.71 | ![]() |