Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02905768
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 |
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 | |
1IG | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1N | 0.7 | |
PYN | 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN- 1-YL-PROPIONYLAMINO)-ACRIDIN-3- YL]-PROPIONAMIDE | A,B | 1L1H | 0.71 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.71 | |
SRS | 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA- 12(19),13(18),15,17-TETRAENE-10- CARBAMOYL)PENTA-METHYLSULFONEDIIMINE | A | 1MMR | 0.72 | |
094 | 1-(2,6-DICHLOROPHENYL)-6-[(2,4- DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6- TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2- D]PYRIMIDIN-2(1H)-ONE | A | 1OUY | 0.71 | |
A2E | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A,B | 1ZGC | 0.71 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.71 | |
NPH | CYSTEINE-METHYLENE-CARBAMOYL-1,10- PHENANTHROLINE | A | 1A18 | 0.81 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.72 | |
55F | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.7 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.7 | |
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 | 0.71 | |
737 | N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)- BUTYL]-2-{6-OXO-5-[(QUINOLIN-8- YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN- 1-YL}-ACETAMIDE | A | 1ZTL | 0.72 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.75 | |
NCL | 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine | A,B | 3ET8 | 0.72 | |
LA1 | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4- (QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN- 1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE | A,B | 1XUO | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.7 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.7 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.77 | |
SN6 | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.71 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
CM9 | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.72 | |
A1E | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A | 1ZGB | 0.71 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.75 | |
NCJ | 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine | A,B | 3ERU | 0.72 | |
MHC | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE | A | 1NBP | 0.71 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.76 | |
N8T | N-[8-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN- 9-AMINE | A | 2CEK | 0.76 | |
NCK | 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine | A,B | 3ES0 | 0.72 | |
B97 | (10R)-10-methyl-3-(6-methylpyridin- 3-yl)-9,10,11,12-tetrahydro-8H- [1,4]diazepino[5',6':4,5]thieno[3,2- f]quinolin-8-one | X | 3FYJ | 0.73 | |
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 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.7 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.7 | |
NCQ | 3,6-Bis[3-(azepan-1-yl)propionamido]acridine | A,B | 3EUM | 0.72 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2ESM | 0.7 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2F2U | 0.7 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 2GNI | 0.7 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 1Q8W | 0.7 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.76 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.76 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.76 | |
B9A | MACROCYCLIC-BIS-9-AMINO-ACRIDINE | A,B | 1FD5 | 0.71 | |
AA7 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.7 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.72 |