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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01746321

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.7
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.7
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.7
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE
A,B2BKT0.75
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL70.71
MDCN-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-
3-CARBOXAMIDE
A1A540.71
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.88
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate
A,P,Q3D1F0.75
11RRUTHENIUM WIRE, 11 CARBON LINKERA2CG10.72
MXX5,8-dimethoxy-1,4-dimethylquinolin-
2(1H)-one
A,B3GAM0.72
PTI2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-
ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-6-OL
A1UOM0.76
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.71
RHQRHODAMINE 6GA,B,D,E1JUS0.77
RHQRHODAMINE 6GA,B,D,E3BR50.77
RHQRHODAMINE 6GA,D,E3BR60.77
RHQRHODAMINE 6GA,B3D6Z0.77
RHQRHODAMINE 6GA1OY80.77
RHQRHODAMINE 6GA1T9V0.77
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.7
QUMQUINACRINE MUSTARDA,B1GXF0.7
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,D1XQC0.71
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.74
R4ABIS[1H,1'H-2,2'-BIPYRIDINATO(2-
)-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10-
DIHYDRO-1,10-PHENANTHROLIN-4-YL-
KAPPA~2~N~1~,N~10~)BUTOXY]-N,N-
DIMETHYLANILINATO(2-)}RUTHENIUM
A,B2CFD0.72
R4ABIS[1H,1'H-2,2'-BIPYRIDINATO(2-
)-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10-
DIHYDRO-1,10-PHENANTHROLIN-4-YL-
KAPPA~2~N~1~,N~10~)BUTOXY]-N,N-
DIMETHYLANILINATO(2-)}RUTHENIUM
A,B2CFG0.72
R4ABIS[1H,1'H-2,2'-BIPYRIDINATO(2-
)-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10-
DIHYDRO-1,10-PHENANTHROLIN-4-YL-
KAPPA~2~N~1~,N~10~)BUTOXY]-N,N-
DIMETHYLANILINATO(2-)}RUTHENIUM
A2BT30.72