Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00363195
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 |
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 | |
TTG | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID | A,B | 1RRJ | 0.73 | |
TTG | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID | A,C,D | 1K4T | 0.73 | |
TTG | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID | A,C | 1RR8 | 0.73 | |
772 | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | A | 1O4H | 0.73 | |
ASE | N-ACETYL SEROTONIN | A | 1NAS | 0.71 | |
EI1 | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.75 | |
826 | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.72 | |
BRF | A | 1UUO | 0.7 | ||
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.71 | |
IHX | 3-[3-(4-methylpiperazin-1-yl)-7- (trifluoromethyl)quinoxalin-5-yl]phenol | A,B | 3F66 | 0.72 | |
QUN | QUINACRINE | A,B | 1JQE | 0.74 | |
I3N | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.7 | |
7NH | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.71 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.82 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.86 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.86 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.86 | |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.81 | |
SIE | SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)- 1H-INDOL-6-YL ESTER | A | 2BRP | 0.74 | |
TFL | 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY- 3-METHYL-1,3-BENZOTHIAZOL-3-IUM | A | 2J3Q | 0.72 | |
SRO | SEROTONIN | A,B | 3BRN | 0.72 | |
SRO | SEROTONIN | A | 2QEH | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.74 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.74 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.74 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.86 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.86 | |
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 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.7 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.71 | |
COG | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)- N-METHYLAMINO]QUINAZOLINE | A | 1LY3 | 0.72 | |
124 | 2-(2-HYDROXY-PHENYL)-1H-INDOLE- 5-CARBOXAMIDINE | A | 1GI6 | 0.71 | |
DQU | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1R5Y | 0.71 | |
DQU | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1Q4W | 0.71 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.74 | |
TTC | (S)-10-[(DIMETHYLAMINO)METHYL]- 4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2- B]-QUINOLINE-3,14(4H,12H)-DIONE | A,C | 1RR8 | 0.7 | |
TTC | (S)-10-[(DIMETHYLAMINO)METHYL]- 4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2- B]-QUINOLINE-3,14(4H,12H)-DIONE | A,B | 1RRJ | 0.7 | |
TTC | (S)-10-[(DIMETHYLAMINO)METHYL]- 4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2- B]-QUINOLINE-3,14(4H,12H)-DIONE | A,C,D | 1K4T | 0.7 | |
IOK | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | A,B | 2IOK | 0.71 | |
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.71 |