Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01652934
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 |
HM4 | TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN- 3-YL}CARBAMATE | A | 2NQ6 | 0.71 | |
G95 | N-[(1S)-2-amino-1-phenylethyl]- 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene- 2-carboxamide | A,B | 3E87 | 0.71 | |
HM5 | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]- N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE | A | 2NQ7 | 0.74 | |
CYE | B | 1PQQ | 0.72 | ||
IIP | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 365D | 0.75 | |
GSI | 2-(5-chlorothiophen-2-yl)-N-[(3S)- 1-(4-{2-[(dimethylamino)methyl]- 1H-imidazol-1-yl}-2-fluorophenyl)- 2-oxopyrrolidin-3-yl]ethanesulfonamide | A | 2VH0 | 0.71 | |
AIK | N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4- ({[4-(FORMYLAMINO)-1-METHYL-1H- PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL- 1H-PYRROL-2-YL]CARBONYL}AMINO)- 5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE | A,B | 1RMX | 0.78 | |
HP1 | IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE | A,B | 407D | 0.74 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A,B | 2VQV | 0.74 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.74 | |
P11 | IMIDAZOLE-PYRROLE-BETA ALANINE- IMIDAZOLE-BETA ALANINE-IMIDAZOLE- PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | A | 1LEJ | 0.73 | |
DMY | DISTAMYCIN A | A | 217D | 0.71 | |
DMY | DISTAMYCIN A | A | 1K2Z | 0.71 | |
DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 0.71 | |
DMY | DISTAMYCIN A | A,B | 267D | 0.71 | |
DMY | DISTAMYCIN A | A | 306D | 0.71 | |
DMY | DISTAMYCIN A | A | 304D | 0.71 | |
DMY | DISTAMYCIN A | A | 305D | 0.71 | |
DMY | DISTAMYCIN A | A | 1JUX | 0.71 | |
DMY | DISTAMYCIN A | A | 2DND | 0.71 | |
DMY | DISTAMYCIN A | A,B,C,D | 378D | 0.71 | |
DMY | DISTAMYCIN A | B | 1JTL | 0.71 | |
DMY | DISTAMYCIN A | A | 159D | 0.71 | |
DMY | DISTAMYCIN A | A | 216D | 0.71 | |
H21 | 5-chloro-N-[1-(2-{[2-fluoro-4-(2- oxopyridin-1(2H)-yl)phenyl]amino}- 2-oxoethyl)-1H-1,2,4-triazol-3- yl]thiophene-2-carboxamide | A | 2VVV | 0.7 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 408D | 0.75 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVY | 0.75 | |
AJI | 3-[(4-fluorophenyl)sulfanyl]-N- (4-methyl-1,3-thiazol-2-yl)-6-[(4- methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine- 2-carboxamide | X | 3A0I | 0.8 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.75 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.75 | |
LOI | 2-(methylamino)-N-(4-methyl-1,3- thiazol-2-yl)-5-[(4-methyl-4H-1,2,4- triazol-3-yl)sulfanyl]benzamide | A | 3GOI | 0.7 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A | 2OWB | 0.75 | |
626 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5- (2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4- C]PYRAZOL-3-YL]BENZAMIDE | A,B | 2J4Z | 0.75 |