Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02237696
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 |
HM5 | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]- N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE | A | 2NQ7 | 0.72 | |
IMG | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9- DEAZAGUANIN-9-YL)-D-RIBITOL | A,B | 1DQP | 0.72 | |
IMG | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9- DEAZAGUANIN-9-YL)-D-RIBITOL | A | 1B8N | 0.72 | |
553 | (7S)-2-(2-aminopyrimidin-4-yl)- 7-(2-fluoroethyl)-1,5,6,7-tetrahydro- 4H-pyrrolo[3,2-c]pyridin-4-one | A,B | 3DU8 | 0.74 | |
C8C | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin- 4(3H)-one | A | 2VA5 | 0.73 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.88 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.75 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.75 | |
DX6 | 2-amino-5-(2-phenylethyl)-3,7-dihydro- 4H-pyrrolo[2,3-d]pyrimidin-4-one | A,B,C,D | 3BMH | 0.73 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.76 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.76 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.71 | |
DMY | DISTAMYCIN A | A | 217D | 0.73 | |
DMY | DISTAMYCIN A | A | 1K2Z | 0.73 | |
DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 0.73 | |
DMY | DISTAMYCIN A | A,B | 267D | 0.73 | |
DMY | DISTAMYCIN A | A | 306D | 0.73 | |
DMY | DISTAMYCIN A | A | 304D | 0.73 | |
DMY | DISTAMYCIN A | A | 305D | 0.73 | |
DMY | DISTAMYCIN A | A | 1JUX | 0.73 | |
DMY | DISTAMYCIN A | A | 2DND | 0.73 | |
DMY | DISTAMYCIN A | A,B,C,D | 378D | 0.73 | |
DMY | DISTAMYCIN A | B | 1JTL | 0.73 | |
DMY | DISTAMYCIN A | A | 159D | 0.73 | |
DMY | DISTAMYCIN A | A | 216D | 0.73 | |
HP1 | IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE | A,B | 407D | 0.73 | |
PB5 | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.71 | |
BPG | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.72 | |
3BA | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.73 | |
IIP | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 365D | 0.74 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.71 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.71 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.71 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.71 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.71 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 1 | |
9DG | 9-DEAZAGUANINE | A | 1IL4 | 1 | |
9DG | 9-DEAZAGUANINE | A,C | 1FSG | 1 | |
9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 1 | |
517 | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.72 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 408D | 0.73 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVY | 0.73 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.97 | |
344 | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5- G]QUINAZOLIN-8-ONE | A | 2BBF | 0.73 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1X | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWE | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LW0 | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HND | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1FKP | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1U | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWF | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HNY | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1VRT | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWC | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLB | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 3HVT | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLF | 0.7 | |
P11 | IMIDAZOLE-PYRROLE-BETA ALANINE- IMIDAZOLE-BETA ALANINE-IMIDAZOLE- PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | A | 1LEJ | 0.72 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2C3J | 0.78 | |
DBQ | DEBROMOHYMENIALDISINE | A,B | 1U4D | 0.78 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2CN8 | 0.78 | |
DBQ | DEBROMOHYMENIALDISINE | A | 1Z57 | 0.78 |