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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01305206

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.73
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.76
R9ARUTHENIUM WIRE, 9 CARBON LINKERA2CG00.76
7714-(4-BENZYLOXY-2-METHANESULFONYLAMINO-
5-METHOXY-BENZYLAMINO)-BENZAMIDINE
H,L1W0Y0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.7
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.72
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.72
R7URUTHENIUM WIRE, 7 CARBON LINKERA2CFW0.76
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.83
DRF(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-
10-YL)ETHOXY]PHENYL}PROPANOIC ACID
A1NYX0.71
PTI2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-
ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-6-OL
A1UOM0.77
R6ARUTHENIUM WIRE, 6 CARBON LINKERA2CFL0.76
TQD(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-
1,2,5,6,7,8-hexahydroquinazoline-
2,4-diamine
A1S3V0.71
TQD(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-
1,2,5,6,7,8-hexahydroquinazoline-
2,4-diamine
A1S3U0.71
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE
A,B2BKT0.75
R5BRUTHENIUM WIRE WC5A2CFK0.76
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.73
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.71
11RRUTHENIUM WIRE, 11 CARBON LINKERA2CG10.78
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate
A,P,Q3D1F0.74
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
B2FS40.75
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
A2BKS0.75
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE
A2ITZ0.71
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE
A2ITO0.71
IRE3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-
6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-
4(1H)-YLIDENE]ANILINE
A2ITY0.71
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.71
R6GRHODAMINE 6GB2V3L0.73
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,B2CFD0.78
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,B2CFG0.78
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
A2BT30.78
R5ARUTHENIUM WIRE, 5 CARBON LINKERA2CFK0.76
MXX5,8-dimethoxy-1,4-dimethylquinolin-
2(1H)-one
A,B3GAM0.74
MDCN-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-
3-CARBOXAMIDE
A1A540.7
SN98-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
A,B1ZPI0.7
RHQRHODAMINE 6GA,B,D,E1JUS0.74
RHQRHODAMINE 6GA,B,D,E3BR50.74
RHQRHODAMINE 6GA,D,E3BR60.74
RHQRHODAMINE 6GA,B3D6Z0.74
RHQRHODAMINE 6GA1OY80.74
RHQRHODAMINE 6GA1T9V0.74
ZD64-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-
7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN-
4(1H)-YLIDENE]ANILINE
A2IVU0.72
3MR(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-
3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE
A2Q150.71