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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00086849

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDW0.78
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL		A1X390.75
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL		A,B2J7C0.75
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZYB0.71
2241-({2-[2-(4-CHLOROPHENYL)ETHYL]-
1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE		A2DY50.71
THWC2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATEA,B2BEW0.72
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHY0.73
K514-(6-{[(1S)-1-(HYDROXYMETHYL)-2-
METHYLPROPYL]AMINO}IMIDAZO[1,2-
B]PYRIDAZIN-3-YL)BENZONITRILE		X2PMN0.72
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1D0V0.71
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1L4E0.71
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5E0.72
OLOOLOMOUCINEA4ERK0.72
OLOOLOMOUCINEC1W0X0.72
FR71-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-
2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-
CARBOXAMIDE		A1V790.73
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.72
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.74
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.71
FR31-((1R)-1-(HYDROXYMETHYL)-3-(1-
NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-
CARBOXAMIDE		A1NDY0.73
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE		A1BL60.72
GSZN-[(5R,6R,7R,8S)-6,7-DIHYDROXY-
5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE		A,B2J620.76
VAR9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-
c]pyrimidin-4-ol		A,B,C,D3BHV0.7
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY70.71
FR61-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-
1H-IMIDAZOLE-4-CARBOXAMIDE		A2E1W0.75
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL		A1YGJ0.73
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.71
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.71
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.71
VGB(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-
2-(2-phenylethyl)-8-(propanoylamino)-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium		A,B2WB50.76
C122-(1-AMINO-2-HYDROXYPROPYL)-4-(4-
HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-
IMIDAZOL-5-OLATE		A2FZU0.82
PFZ1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-
DICHLOROPHENYL)OCTANE		A1PHA0.79
PFZ1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-
DICHLOROPHENYL)OCTANE		A1PHB0.79
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O340.71
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O310.71
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O330.71
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O320.71
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL		X2A0C0.75
RUN2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-
L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-
(2-METHYLPROPIONYL)IMIDAZOLE		B1HPS0.72
MSR4-(1H-IMIDAZOL-1-YL)PHENOLA2ORQ0.75
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.77
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol		A,C3DDP0.74
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY80.7
ECN1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-
2-(2,4-DICHLOROPHENYL)ETHYL]-1H-
IMIDAZOLE		A,B2UVN0.75
DBIPHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-
BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-
HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-YL] ESTER		A1ID80.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.71
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5F0.72
MBZ1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-
BENZOIMIDAZOLE-5'-MONOPHOSPHATE		1,21EEK0.71
NHV(5R,6R,7S,8R)-6,7,8-trihydroxy-
5-(hydroxymethyl)-2-[(phenylamino)methyl]-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium		A,B2VOT0.74
FRC1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-
1H-IMIDAZONE-4-CARBOXAMIDE		A1V7A0.7
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL		A1X380.82
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL		A1LQ20.82
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL		A2HK50.7
IZZ(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-
b]pyridazin-6-yl]amino}-3-methylbutan-
1-ol		A3F2N0.74
RMBN1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHYLBENZIMIDAZOLE		A1JHO0.72
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium		A,B,C,D3FZN0.72
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium		A,B3D7K0.72
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium		X3FSJ0.72
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.73
RRCR-ROSCOVITINEA,B,C,D3DDQ0.73
RRCR-ROSCOVITINEA1YGK0.73
RRCR-ROSCOVITINEA1UNL0.73
RRCR-ROSCOVITINEA2A4L0.73
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE		A,B,C,D2BTJ0.77
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE		A,B,C,D2VVJ0.77
2C52-CHLORO-5-(3-CHLORO-PHENYL)-6-
[(4-CYANO-PHENYL)-(3-METHYL-3H-
IMIDAZOL-4-YL)- METHOXYMETHYL]-
NICOTINONITRILE		B1NI10.74
PGI(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-(2-PHENYLETHYL)-1,5,6,7,8,8A-
HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-
6,7,8-TRIOL		A,B2CET0.8
PGI(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-(2-PHENYLETHYL)-1,5,6,7,8,8A-
HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-
6,7,8-TRIOL		A,B2CER0.8
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.73
RC7{(2R)-4-(4-HYDROXYBENZYL)-2-[2-
(1H-IMIDAZOL-4-YL)ETHYL]-5-OXO-
2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETALDEHYDE		A,B,C,D2GW40.73