Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00218246
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 |
8IN![]() | [3-(1-BENZYL-3-CARBAMOYLMETHYL- 2-METHYL-1H-INDOL-5-YLOXY)-PROPYL- ]-PHOSPHONIC ACID | A | 1DB4 | 0.71 | ![]() |
IID![]() | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.71 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.71 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.71 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.71 | ![]() |
783![]() | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-5-METHOXY-1,1'-BIPHENYL-2- OLATE | A | 1O2T | 0.71 | ![]() |
HQC![]() | 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)- AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- 4-OXO-BUTYRI ACID | A | 1RWP | 0.7 | ![]() |
6IN![]() | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 0.72 | ![]() |
QNO![]() | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.71 | ![]() |
QNO![]() | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.71 | ![]() |
550![]() | methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | A,B | 3EDZ | 0.76 | ![]() |
O33![]() | (4R)-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO- 1H-INDEN-1-YL]-3-[(2S,3S)-2-HYDROXY- 3-({N-[(ISOQUINOLIN-5-YLOXY)ACETYL]- S-METHYL-L-CYSTEINYL}AMINO)-4-PHENYLBUTANOYL]- 5,5-DIMETHYL-1,3-THIAZOLIDINE-4- CARBOXAMIDE | B | 2PK6 | 0.7 | ![]() |
541![]() | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.77 | ![]() |
887![]() | N-cyclopropyl-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8R | 0.71 | ![]() |
BI5![]() | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.7 | ![]() |
PFE![]() | {4-[3-(6,7-DIETHOXY-QUINAZOLIN- 4-YLAMINO)-PHENYL]-THIAZOL-2-YL}- METHANOL | A,F | 1KZ8 | 0.74 | ![]() |
GK1![]() | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin- 7-yl}-1,3-thiazole-2-carbaldehyde | A | 2ZAZ | 0.73 | ![]() |
KNI![]() | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | A,B | 3FX5 | 0.73 | ![]() |
KNI![]() | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | B | 1HPX | 0.73 | ![]() |
KNI![]() | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | B | 2ZYE | 0.73 | ![]() |
MSQ![]() | 4-[3-METHYLSULFANYLANILINO]-6,7- DIMETHOXYQUINAZOLINE | A | 1DI9 | 0.73 | ![]() |
893![]() | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE | A,B | 2H96 | 0.71 | ![]() |
896![]() | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.7 | ![]() |
7IP![]() | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.74 | ![]() |
QUN![]() | QUINACRINE | A,B | 1JQE | 0.76 | ![]() |
BQN![]() | 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}- 2,3-bis(trifluoromethyl)phenyl]prop- 2-enoyl}morpholine | B,C | 3BQN | 0.71 | ![]() |
W37![]() | N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN- 6-YL]OXY}HEXYL)-N-METHYLPROP-2- EN-1-AMINE | A,B,C | 1O6H | 0.71 | ![]() |
KIN![]() | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA | A | 2HZN | 0.7 | ![]() |
TEI![]() | 2-(3-CYANO-4-ISOBUTOXY-PHENYL)- 4-METHYL-5-THIAZOLE-CARBOXYLIC ACID | A,B | 1N5X | 0.7 | ![]() |
642![]() | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin- 4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane- 1-carboxylic acid | A,B | 3EWJ | 0.73 | ![]() |
JTP![]() | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.71 | ![]() |
3LG![]() | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETIC ACID | B | 2G26 | 0.71 | ![]() |
ML2![]() | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX9 | 0.73 | ![]() |
ML2![]() | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX8 | 0.73 | ![]() |
134![]() | 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL- CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE- 5-CARBOXAMIDINE | B | 1GJ9 | 0.7 | ![]() |
615![]() | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin- 4-yl)methoxy]benzyl}cyclopropane- 1,2-dicarboxamide | A,B | 3E8R | 0.78 | ![]() |
CR3![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | A | 1O2H | 0.71 | ![]() |
FBQ![]() | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL | A | 1HBJ | 0.73 | ![]() |
2CS![]() | 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)- 5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL- 2-YL]-2,2-DIMETHYLPROPANOIC ACID | A,C,D,E | 2Q7M | 0.72 | ![]() |
ML1![]() | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX4 | 0.72 | ![]() |
ML1![]() | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX6 | 0.72 | ![]() |
ML1![]() | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QWX | 0.72 | ![]() |