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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02299700

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LA1(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-
(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-
1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE
A,B1XUO0.7
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}
A2GWA0.73
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}
A,B2GB90.73
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B,C,D3EUI0.73
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B3EQW0.73
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.73
QNC2-CARBONYLQUINOLINEA,B1MTB0.73
QNC2-CARBONYLQUINOLINEA,B2FGV0.73
QNC2-CARBONYLQUINOLINEI1IVQ0.73
QNC2-CARBONYLQUINOLINEA,B2FGU0.73
QNC2-CARBONYLQUINOLINEA1JLD0.73
QNC2-CARBONYLQUINOLINEA,B1HXB0.73
A2E(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A,B1ZGC0.71
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.7
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.77
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.77
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.71
PRLPROFLAVINH,I1BCU0.7
PRLPROFLAVINA,B,D,E1QVT0.7
PRLPROFLAVINA,B2KD40.7
PRLPROFLAVINA1QVU0.7
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A1DL80.74
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone
A,B,D,E3CH60.72
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.73
DA66-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-
4-CARBOXAMIDE
A366D0.71
XR21-METHYL-9-[12-(9-METHYLPHENAZIN-
10-IUM-1-YL)-12-OXO-2,11-DIAZA-
5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-
10-IUM
A1X950.76
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.72
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.72
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE
A,B1K2L0.73
BFA9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-
DIMETHYLAMINO-ETHYL)-AMIDE
A,B1EG60.77
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.75
A1E(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A1ZGB0.71
LUMLUMICHROMEA2CC60.83
LUMLUMICHROMEA,B1S4M0.83
LUMLUMICHROMEA2CC70.83
LUMLUMICHROMEA1HE50.83
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.75
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
2,H,K,N,V,Y2F160.74
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide
A3DKO0.73
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE
A1CVZ0.72
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE
A1KCI0.72
NCQ3,6-Bis[3-(azepan-1-yl)propionamido]acridineA,B3EUM0.73
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.73
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.73
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.73
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide
A,B2NMW0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide
A,B3D1Y0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide
A,B2NMY0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide
A,B3CYX0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide
A,B2NNP0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide
B1C6Z0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide
A,B2NNK0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide
A1FB70.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide
A,B2NMZ0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide
A,B3D1X0.7
NC53-[(2R)-2-ethylpiperidin-1-yl]-
N-[6-({3-[(2S)-2-ethylpiperidin-
1-yl]propanoyl}amino)acridin-3-
yl]propanamide
A,B,C,D3EUI0.73
BRA9-[4-(n,n-dimethylamino)phenylamino]-
3,6-bis(3-pyrrolidinopropionamido) acridine
A3CE50.71
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE
A328D0.72
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.75
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.75
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.73