Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03283692
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 |
NSC | N,N'-BIS(4-AMINO-2-METHYLQUINOLIN- 6-YL)UREA | A,B | 1PWP | 0.73 | |
TOT | 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)- BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO- 1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM | A | 108D | 0.8 | |
NCI | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B,C,D | 3EUI | 0.73 | |
NCI | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B | 3EQW | 0.73 | |
THA | TACRINE | A,B | 2AOW | 0.76 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.76 | |
THA | TACRINE | A,B | 2AOX | 0.76 | |
THA | TACRINE | A | 1ACJ | 0.76 | |
DCU | A,B | 1J07 | 0.77 | ||
AA7 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.8 | |
TQ5 | 5-[4-TERT-BUTYLPHENYLSULFANYL]- 2,4-QUINAZOLINEDIAMINE | A,B | 1IA3 | 0.73 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.7 | |
TQ3 | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE | A,B | 1IA1 | 0.72 | |
LG1 | 3,11-DIFLUORO-6,8,13-TRIMETHYL- 8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | A,B,D | 1NZM | 0.76 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.79 | |
HUX | 3-CHLORO-9-ETHYL-6,7,8,9,10,11- HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN- 12-AMINE | A | 1E66 | 0.71 | |
RKA | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.7 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.7 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.7 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.7 | |
N8T | N-[8-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN- 9-AMINE | A | 2CEK | 0.89 | |
I40 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.75 | |
NCL | 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine | A,B | 3ET8 | 0.72 | |
MM0 | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.8 | |
214 | 6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}- 2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN- 8-YLPHOSPHONIC ACID | A,B | 1Q6S | 0.71 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.76 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.71 | |
NCJ | 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine | A,B | 3ERU | 0.72 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.77 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.77 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.77 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.77 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.77 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.77 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.74 | |
NCK | 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine | A,B | 3ES0 | 0.72 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.7 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.74 | |
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 | |
PRL | PROFLAVIN | H,I | 1BCU | 0.76 | |
PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.76 | |
PRL | PROFLAVIN | A,B | 2KD4 | 0.76 | |
PRL | PROFLAVIN | A | 1QVU | 0.76 | |
TQ4 | 5-[(4-METHYLPHENYL)SULFANYL]-2,4- QUINAZOLINEDIAMINE | A,B | 1IA2 | 0.72 | |
NC5 | 3-[(2R)-2-ethylpiperidin-1-yl]- N-[6-({3-[(2S)-2-ethylpiperidin- 1-yl]propanoyl}amino)acridin-3- yl]propanamide | A,B,C,D | 3EUI | 0.73 | |
BRA | 9-[4-(n,n-dimethylamino)phenylamino]- 3,6-bis(3-pyrrolidinopropionamido) acridine | A | 3CE5 | 0.71 | |
BMO | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.8 | |
B9A | MACROCYCLIC-BIS-9-AMINO-ACRIDINE | A,B | 1FD5 | 0.76 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.71 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.77 |