Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01740362
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 |
KS4![]() | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A,B | 3EN5 | 0.7 | ![]() |
AX1![]() | 2-amino-6-(1,3-benzodioxol-5-yl)- 4-oxo-4,7-dihydro-3H-pyrrolo[2,3- d]pyrimidine-5-carbonitrile | A,B,C,D | 3BML | 0.71 | ![]() |
447![]() | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.73 | ![]() |
AQ4![]() | [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE- 4-YL]-(3-ETHYNYLPHENYL)AMINE | A | 1M17 | 0.71 | ![]() |
T2A![]() | 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1- f][1,2,4]triazin-2-amine | A,C | 3EOC | 0.72 | ![]() |
J78![]() | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBE | 0.71 | ![]() |
J78![]() | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBA | 0.71 | ![]() |
J78![]() | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBD | 0.71 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.73 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.73 | ![]() |
MT3![]() | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin- 4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin- 4(3H)-one | A,B | 3EFJ | 0.72 | ![]() |
W11![]() | 3-{3,5-DIMETHYL-4-[3-(3-METHYL- ISOXAZOL-5-YL)-PROPOXY]-PHENYL}- 5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | A,D | 1NCR | 0.77 | ![]() |
W11![]() | 3-{3,5-DIMETHYL-4-[3-(3-METHYL- ISOXAZOL-5-YL)-PROPOXY]-PHENYL}- 5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | A | 1NA1 | 0.77 | ![]() |
W11![]() | 3-{3,5-DIMETHYL-4-[3-(3-METHYL- ISOXAZOL-5-YL)-PROPOXY]-PHENYL}- 5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | A | 1ND3 | 0.77 | ![]() |
W11![]() | 3-{3,5-DIMETHYL-4-[3-(3-METHYL- ISOXAZOL-5-YL)-PROPOXY]-PHENYL}- 5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | 1 | 1C8M | 0.77 | ![]() |
W11![]() | 3-{3,5-DIMETHYL-4-[3-(3-METHYL- ISOXAZOL-5-YL)-PROPOXY]-PHENYL}- 5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE | A | 1NCQ | 0.77 | ![]() |
688![]() | 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]- 6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2- YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID | A | 1QBN | 0.71 | ![]() |
J77![]() | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE | 1,4 | 1PO2 | 0.71 | ![]() |
J77![]() | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBC | 0.71 | ![]() |
AQZ![]() | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN- 1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}- 4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | A | 2BAK | 0.71 | ![]() |
DTQ![]() | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.71 | ![]() |
W03![]() | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]- PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]- PHENOL | 1,4 | 1QJY | 0.7 | ![]() |
656![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2K | 0.7 | ![]() |
656![]() | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2J | 0.7 | ![]() |
PGJ![]() | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)- 3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN- 4-YL]ISOXAZOL-5(2H)-ONE | A | 1YW2 | 0.71 | ![]() |
55V![]() | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A,B | 3FQC | 0.72 | ![]() |
55V![]() | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but- 1-yn-1-yl]pyrimidine-2,4-diamine | A | 3FQF | 0.72 | ![]() |
G6H![]() | N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]- 1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}- 3-(trifluoromethyl)benzamide | B | 3G6H | 0.72 | ![]() |
994![]() | 4-(2-anilinopyridin-3-yl)-N-(3,4,5- trimethoxyphenyl)-1,3,5-triazin- 2-amine | A | 2P2H | 0.7 | ![]() |
J80![]() | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBB | 0.71 | ![]() |
J80![]() | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE | 1,4 | 1PO1 | 0.71 | ![]() |
BZC![]() | A | 1EFY | 0.72 | ![]() | |
PU3![]() | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UYM | 0.7 | ![]() |
PU3![]() | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UY6 | 0.7 | ![]() |
MT4![]() | 5-{4-[(6,7-dimethoxyquinolin-4- yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]- 3-methylpyrimidin-4(3H)-one | A,B | 3EFK | 0.7 | ![]() |
COG![]() | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]QUINAZOLINE | A | 1LY3 | 0.7 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 3FQ0 | 0.71 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A,B | 3E0B | 0.71 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 2KGK | 0.71 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A,B | 3CSE | 0.71 | ![]() |
N22![]() | 5-[3-(2,5-dimethoxyphenyl)prop- 1-yn-1-yl]-6-ethylpyrimidine-2,4- diamine | A | 3FQO | 0.71 | ![]() |
7IP![]() | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.7 | ![]() |
DX8![]() | 2-amino-6-(4-methoxyphenyl)-4-oxo- 4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine- 5-carbonitrile | A,B,C,D | 3BMK | 0.7 | ![]() |
893![]() | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE | A,B | 2H96 | 0.7 | ![]() |