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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03290678

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.72
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL		A1YGJ0.72
PFZ1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-
DICHLOROPHENYL)OCTANE		A1PHA0.8
PFZ1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-
DICHLOROPHENYL)OCTANE		A1PHB0.8
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE		A2B6A0.7
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE		A1BL70.72
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE		A3ERK0.72
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5E0.7
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL		A1X390.73
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL		A,B2J7C0.73
THWC2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATEA,B2BEW0.72
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE		A1BL60.75
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY80.71
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,D2GW40.71
IHX3-[3-(4-methylpiperazin-1-yl)-7-
(trifluoromethyl)quinoxalin-5-yl]phenol		A,B3F660.74
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,B2VOT0.71
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHY0.74
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid		A3F2A0.74
ED7N-benzyl-N-(2-{(4-cyanophenyl)[(1-
methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-
2-methylbenzenesulfonamide		B3E330.71
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.8
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,B2J620.71
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O340.73
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O310.73
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O330.73
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O320.73
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE		A,B,C,D2BTJ0.76
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE		A,B,C,D2VVJ0.76
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine		A,C2W710.7
VAR9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-
c]pyrimidin-4-ol		A,B,C,D3BHV0.72
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL		A2BDJ0.74
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,B2CET0.75
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,B2CER0.75
TMI1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLEA2BDM0.75
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,D3FZN0.71
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,B3D7K0.71
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		X3FSJ0.71
FTI1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-
4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-
1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE		B1N9A0.72
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY70.71
MSR4-(1H-IMIDAZOL-1-YL)PHENOLA2ORQ0.76
FTL4-[(3-CYANO-BENZYL)-(3-METHYL-3H-
IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-
1-YL-BENZONITRILE		B1NL40.75
K514-(6-{[(1S)-1-(HYDROXYMETHYL)-2-
METHYLPROPYL]AMINO}IMIDAZO[1,2-
B]PYRIDAZIN-3-YL)BENZONITRILE		X2PMN0.73
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O380.73
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O370.73
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDW0.74
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.75
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.75
Q22(4aS)-5-[(2,4-diaminopteridin-6-
yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-
8-ol		A3D800.71
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.76
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE		A1K5F0.7
RRCR-ROSCOVITINEA,B,C,D3DDQ0.72
RRCR-ROSCOVITINEA1YGK0.72
RRCR-ROSCOVITINEA1UNL0.72
RRCR-ROSCOVITINEA2A4L0.72
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE		A1BMK0.73
2C52-CHLORO-5-(3-CHLORO-PHENYL)-6-
[(4-CYANO-PHENYL)-(3-METHYL-3H-
IMIDAZOL-4-YL)- METHOXYMETHYL]-
NICOTINONITRILE		B1NI10.78
CKE1-{7-cyclohexyl-6-[4-(4-methylpiperazin-
1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-
2-yl}methanamine		A2R6N0.7
OLOOLOMOUCINEA4ERK0.71
OLOOLOMOUCINEC1W0X0.71
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL		A1X380.79
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL		A1LQ20.79
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL		X2A0C0.75
FR31-((1R)-1-(HYDROXYMETHYL)-3-(1-
NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-
CARBOXAMIDE		A1NDY0.76
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine		A2R3H0.71
ED2N-benzyl-N-(2-{(4-cyanophenyl)[(1-
methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-
1-methyl-1H-imidazole-4-sulfonamide		B3E320.7
FR61-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-
1H-IMIDAZOLE-4-CARBOXAMIDE		A2E1W0.76
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol		A,C3DDP0.74
RUN2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-
L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-
(2-METHYLPROPIONYL)IMIDAZOLE		B1HPS0.7
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A,B2VQQ0.71
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A,B2VQO0.71
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A2VQJ0.71
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL		A2HK50.74
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZYB0.77
ECN1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-
2-(2,4-DICHLOROPHENYL)ETHYL]-1H-
IMIDAZOLE		A,B2UVN0.73
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZM10.7
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,B2WB50.72
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI40.72
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI20.72
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		A1O2S0.71
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		B1P570.71
C122-(1-AMINO-2-HYDROXYPROPYL)-4-(4-
HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-
IMIDAZOL-5-OLATE		A2FZU0.75
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A,B2PSJ0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A2F8P0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A1S360.71
ED1B3E340.7
FRC1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-
1H-IMIDAZONE-4-CARBOXAMIDE		A1V7A0.7
PZF(3R,4S)-1-[6-(6-METHOXYPYRIDIN-
3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE		A,B2QJR0.7
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.72
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.72
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.72
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.72
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.72
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.72
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.72
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.72
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.72
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.72
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.74
IZZ(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-
b]pyridazin-6-yl]amino}-3-methylbutan-
1-ol		A3F2N0.74
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G930.76
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G5N0.76
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O390.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3D0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3C0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3A0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3B0.73
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJB0.75
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GJ50.75
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJC0.75
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.72
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME		A,B2FB80.73
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE		A1OUK0.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI00.72
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GI80.72
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GHW0.72
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI10.72
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI30.72
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHX0.72