Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02326547
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 |
EES | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QGW | 0.75 | |
SRO | SEROTONIN | A,B | 3BRN | 0.76 | |
SRO | SEROTONIN | A | 2QEH | 0.76 | |
FBQ | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL | A | 1HBJ | 0.71 | |
7PC | 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]- 5-PYRIDIN-2-YLPHENOL | A,B | 2OP0 | 0.75 | |
LIC | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHM | 0.75 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | |
3ID | 3H-INDOLE-5,6-DIOL | A | 1F9B | 0.71 | |
3ID | 3H-INDOLE-5,6-DIOL | A | 1OYO | 0.71 | |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.97 | |
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.8 | |
7NH | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.75 | |
QQ2 | [(2-CHLORO-5-METHYLPHENYL){6-[(4- {[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO]ACETONITRILE | A,B,C,D | 2IW6 | 0.71 | |
48B | 2-chloro-N-[4-({5-fluoro-2-[(4- hydroxyphenyl)amino]pyrimidin-4- yl}amino)phenyl]benzamide | A | 3H0Y | 0.72 | |
DQU | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1R5Y | 0.7 | |
DQU | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1Q4W | 0.7 | |
GK1 | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin- 7-yl}-1,3-thiazole-2-carbaldehyde | A | 2ZAZ | 0.73 | |
LIB | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHL | 0.72 | |
QUN | QUINACRINE | A,B | 1JQE | 0.84 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B | 2OP1 | 0.73 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B,C,D | 3FNE | 0.73 | |
A4L | 9-[(5-(ACETYLAMINO)-6-{[(1S,4R)- 8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)- 5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]- 1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}- 6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM | A,B | 1XCS | 0.71 | |
132 | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | H | 1O5E | 0.74 | |
132 | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | B | 1GJ7 | 0.74 | |
132 | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | H,I | 1GJ4 | 0.74 | |
132 | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | A | 1GJ6 | 0.74 | |
QUM | QUINACRINE MUSTARD | A,B | 1GXF | 0.75 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.72 | |
KIN | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA | A | 2HZN | 0.7 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | E | 2ERZ | 0.7 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | A,B | 2ETK | 0.7 | |
Q22 | (4aS)-5-[(2,4-diaminopteridin-6- yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin- 8-ol | A | 3D80 | 0.73 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.75 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.75 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.75 | |
ASE | N-ACETYL SEROTONIN | A | 1NAS | 0.74 | |
DTQ | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.72 | |
IHX | 3-[3-(4-methylpiperazin-1-yl)-7- (trifluoromethyl)quinoxalin-5-yl]phenol | A,B | 3F66 | 0.71 | |
VAR | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2- c]pyrimidin-4-ol | A,B,C,D | 3BHV | 0.71 | |
HRP | 5-HYDROXY-L-TRYPTOPHAN | B | 1YIA | 0.7 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.71 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.71 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.81 | |
1BM | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6- {[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN- 4-YL]AMINO}-4-METHYLPHENOL | A | 2HK5 | 0.72 | |
HUX | 3-CHLORO-9-ETHYL-6,7,8,9,10,11- HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN- 12-AMINE | A | 1E66 | 0.72 | |
EI1 | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.71 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.72 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.75 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.75 |