Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00550021
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 |
GVD![]() | [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL- 3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA- 2,5-DIEN-1-YL]ACETONITRILE | A | 2UV2 | 0.72 | ![]() |
GVD![]() | [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL- 3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA- 2,5-DIEN-1-YL]ACETONITRILE | A,B | 3GGF | 0.72 | ![]() |
GVD![]() | [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL- 3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA- 2,5-DIEN-1-YL]ACETONITRILE | A,B | 2VN9 | 0.72 | ![]() |
26D![]() | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.74 | ![]() |
8IP![]() | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.71 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.73 | ![]() |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.74 | ![]() |
460![]() | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.71 | ![]() |
QPP![]() | N-(5-METHYL-1H-PYRAZOL-3-YL)-2- PHENYLQUINAZOLIN-4-AMINE | A,C | 2JC6 | 0.74 | ![]() |
IHH![]() | [4-({4-[(5-cyclopropyl-1H-pyrazol- 3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | A,B,C,D | 3F6X | 0.71 | ![]() |
IDZ![]() | 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE | A | 2C3L | 0.7 | ![]() |
DX2![]() | 6-phenylpteridine-2,4,7-triamine | A,B,C,D | 3BME | 0.74 | ![]() |
L0D![]() | 2-(1H-pyrazol-3-yl)-1H-benzimidazole | A | 2W1D | 0.71 | ![]() |
JI2![]() | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3B3N | 0.73 | ![]() |
JI2![]() | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3DQR | 0.73 | ![]() |
TAQ![]() | 2,4,6-TRIAMINOQUINAZOLINE | A,B,C,D,E,F, G,H | 1W0C | 0.74 | ![]() |
AS3![]() | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.74 | ![]() |
2AQ![]() | QUINOLIN-2-AMINE | A | 2OHL | 0.8 | ![]() |
OA4![]() | 5-methyl-6-phenylquinazoline-2,4- diamine | A | 2W6P | 0.71 | ![]() |
LUM![]() | LUMICHROME | A | 2CC6 | 0.71 | ![]() |
LUM![]() | LUMICHROME | A,B | 1S4M | 0.71 | ![]() |
LUM![]() | LUMICHROME | A | 2CC7 | 0.71 | ![]() |
LUM![]() | LUMICHROME | A | 1HE5 | 0.71 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.7 | ![]() |