Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00351251
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 |
I40 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.72 | |
PYN | 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN- 1-YL-PROPIONYLAMINO)-ACRIDIN-3- YL]-PROPIONAMIDE | A,B | 1L1H | 0.71 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.71 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.77 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.72 | |
SN6 | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.72 | |
DCU | A,B | 1J07 | 0.72 | ||
MM0 | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.74 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.73 | |
MQU | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]- 7H-PYRROLO[3,2-F] QUINAZOLINE-1,3- DIAMINE | A,B | 1M7A | 0.71 | |
NCE | 3,6-Bis[(3-morpholinopropionamido)] acridine | A,B | 3EM2 | 0.77 | |
PRL | PROFLAVIN | H,I | 1BCU | 0.7 | |
PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.7 | |
PRL | PROFLAVIN | A,B | 2KD4 | 0.7 | |
PRL | PROFLAVIN | A | 1QVU | 0.7 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.71 | |
460 | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.71 | |
BMO | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.73 | |
RC8 | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.71 | |
NSC | N,N'-BIS(4-AMINO-2-METHYLQUINOLIN- 6-YL)UREA | A,B | 1PWP | 0.72 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.77 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.77 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.77 | |
NCQ | 3,6-Bis[3-(azepan-1-yl)propionamido]acridine | A,B | 3EUM | 0.71 | |
NCL | 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine | A,B | 3ET8 | 0.72 | |
P40 | N-cyclopropyl-4-methyl-3-{2-[(2- morpholin-4-ylethyl)amino]quinazolin- 6-yl}benzamide | A | 3DT1 | 0.71 | |
NCI | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B,C,D | 3EUI | 0.72 | |
NCI | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B | 3EQW | 0.72 | |
L1B | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM | A,B | 2G21 | 0.75 | |
AA7 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.74 | |
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.74 | |
WBT | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1- (2-PYRIDIN-4-YLETHYL)-1H-INDOL- 6-YL]BENZAMIDE | A | 1WBT | 0.72 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.7 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2G | 0.72 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2H | 0.72 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2HKC | 0.72 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.74 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.73 | |
NCJ | 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine | A,B | 3ERU | 0.72 | |
TZ4 | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q84 | 0.74 | |
855 | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.72 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.76 | |
NCK | 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine | A,B | 3ES0 | 0.72 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.74 | |
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 | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.7 | |
NPH | CYSTEINE-METHYLENE-CARBAMOYL-1,10- PHENANTHROLINE | A | 1A18 | 0.78 | |
3B3 | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.91 | |
89I | 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6- MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN- 4-AMINE | A,B | 2I6B | 0.72 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.75 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.75 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.75 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.75 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.75 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.75 | |
FPH | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.73 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.74 | |
SN7 | 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]- N-METHYLPYRIDINIUM MESYLATE | A | 328D | 0.72 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.73 | |
LI2 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3- (2-PYRIDIN-4-YLETHYL)-1H-INDOL- 5-YL]BENZAMIDE | A | 1WBS | 0.7 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.73 | |
LIH | 6-([5-QUINOLYLAMINO]METHYL)-2,4- DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | A | 1KMS | 0.72 | |
DRC | 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]- 4-ACRIDINECARBOXAMIDE | A | 1KCI | 0.74 | |
TZ5 | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q83 | 0.74 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.71 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.72 |