Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02458421
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 | ![]() |
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 | 0.71 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.74 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.83 | ![]() |
BMO![]() | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.73 | ![]() |
CXX![]() | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.76 | ![]() |
CXX![]() | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.76 | ![]() |
AEJ![]() | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2- A]PYRAZIN-2-YL]PHENYL}-2-PHENYL- 1,2,3,4-TETRAHYDROISOQUINOLIN-6- OL | A,B,C,D | 1XQC | 0.7 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.72 | ![]() |
MM0![]() | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.72 | ![]() |
NCL![]() | 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine | A,B | 3ET8 | 0.72 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.77 | ![]() |
A8B![]() | A | 1ODC | 0.83 | ![]() | |
THA![]() | TACRINE | A,B | 2AOW | 0.7 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.7 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.7 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.7 | ![]() |
AA7![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.73 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.8 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.8 | ![]() |
SN8![]() | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.72 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.8 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.84 | ![]() |
NCJ![]() | 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine | A,B | 3ERU | 0.72 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.74 | ![]() |
NCK![]() | 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine | A,B | 3ES0 | 0.72 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.7 | ![]() |
TFP![]() | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A,B | 1WRK | 0.77 | ![]() |
TFP![]() | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1CTR | 0.77 | ![]() |
TFP![]() | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A,B,C,D,E,F | 1WRL | 0.77 | ![]() |
TFP![]() | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1A29 | 0.77 | ![]() |
TFP![]() | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1LIN | 0.77 | ![]() |
NCI![]() | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B,C,D | 3EUI | 0.71 | ![]() |
NCI![]() | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B | 3EQW | 0.71 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.7 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.77 | ![]() |
F11![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.74 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.72 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.74 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.74 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.74 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.74 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.74 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.74 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.77 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.72 | ![]() |