Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02817214
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 |
I40 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.72 | |
BRF | A | 1UUO | 0.75 | ||
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.73 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.73 | |
QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.73 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.73 | |
QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.73 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.73 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.71 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.71 | |
772 | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | A | 1O4H | 0.73 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.73 | |
THA | TACRINE | A,B | 2AOW | 0.79 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.79 | |
THA | TACRINE | A,B | 2AOX | 0.79 | |
THA | TACRINE | A | 1ACJ | 0.79 | |
FBQ | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL | A | 1HBJ | 0.8 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.82 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.82 | |
DQU | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1R5Y | 0.7 | |
DQU | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1Q4W | 0.7 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.82 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.82 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.82 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.72 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.72 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.72 | |
PRL | PROFLAVIN | H,I | 1BCU | 0.77 | |
PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.77 | |
PRL | PROFLAVIN | A,B | 2KD4 | 0.77 | |
PRL | PROFLAVIN | A | 1QVU | 0.77 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.75 | |
238 | A | 2PRH | 0.7 | ||
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.7 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.7 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.75 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.71 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.74 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.74 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.73 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.74 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.73 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.74 | |
AA7 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.7 |