Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01431054
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 |
LLB![]() | [6-hydroxy-2-(4-hydroxyphenyl)- 1-benzothien-3-yl]{4-[2-(4-methylpiperidin- 1-yl)ethoxy]phenyl}methanone | A,B | 2R6W | 0.72 | ![]() |
C01![]() | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.79 | ![]() |
L41![]() | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.73 | ![]() |
DEO![]() | A,B | 1ROS | 0.75 | ![]() | |
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 | 0.7 | ![]() |
R17![]() | ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | A,B,C | 1O6Q | 0.79 | ![]() |
B21![]() | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.73 | ![]() |
2FF![]() | (5-(aminomethyl)-2H-spiro[benzofuran- 3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan- 2-yl)methanone | A,B,C,D | 2ZA5 | 0.75 | ![]() |
941![]() | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO- 2-[4-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-BUTYLCARBAMOYL]-ETHYL}- PHENOXY)-MALONIC ACID | A | 1PYN | 0.71 | ![]() |
VII![]() | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.7 | ![]() |
MFN![]() | N-[4,5,7-TRICARBOXYHEPTANOYL]-L- GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]- 3-FURYL}METHOXY)PHENYL]ETHYL}-D- GLUTAMINE | A,B,C,D | 2FHK | 0.75 | ![]() |
MFN![]() | N-[4,5,7-TRICARBOXYHEPTANOYL]-L- GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]- 3-FURYL}METHOXY)PHENYL]ETHYL}-D- GLUTAMINE | A,B,C,D | 2FHJ | 0.75 | ![]() |
MUS![]() | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5- (ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO- NON-2-ULOPYRANOSIDONIC ACID | A | 1S0J | 0.7 | ![]() |
429![]() | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.71 | ![]() |
AP1![]() | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 0.77 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1E1Y | 0.73 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A,B | 3BLR | 0.73 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1C8K | 0.73 | ![]() |
FLQ![]() | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.75 | ![]() |
8MO![]() | METHOXSALEN | A,B,C,D | 1Z11 | 0.77 | ![]() |
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 | ![]() |
CX6![]() | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3- G]PYRROLO[2,1-B][1,3]BENZOXAZIN- 11-ONE | A,B,C,D,E,F | 2AL4 | 0.74 | ![]() |
R19![]() | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.8 | ![]() |
INX![]() | 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)- 2-[(3-CARBOXYPROPANOYL)AMINO] - 3-PHENYLPROPANOYL}AMINO)-3-OXO- 3-(PENTYLAMINO)PROPYL]BENZOIC ACID | A | 1G7G | 0.72 | ![]() |
RAL![]() | RALOXIFENE | A,B | 2JFA | 0.71 | ![]() |
RAL![]() | RALOXIFENE | A,B | 1ERR | 0.71 | ![]() |
RAL![]() | RALOXIFENE | A,B | 2QXS | 0.71 | ![]() |
RAL![]() | RALOXIFENE | A | 1QKN | 0.71 | ![]() |
BA1![]() | BALANOL | A | 1BX6 | 0.7 | ![]() |
KWT![]() | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL- 1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO- 1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO- 3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN- 11-YL ACETATE | A | 3D5X | 0.7 | ![]() |
KWT![]() | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL- 1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO- 1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO- 3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN- 11-YL ACETATE | A | 1E7U | 0.7 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 1FHY | 0.77 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 204D | 0.77 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 2B2B | 0.77 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 1FHZ | 0.77 | ![]() |
PSO![]() | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A | 203D | 0.77 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1ME7 | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEI | 0.71 | ![]() |
MOA![]() | MYCOPHENOLIC ACID | A | 1MEH | 0.71 | ![]() |
ADF![]() | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN- 1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}- 3-TERT-BUTYLBENZOIC ACID | A | 2G5P | 0.72 | ![]() |