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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00107375

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.73
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.7
MBZ1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-
BENZOIMIDAZOLE-5'-MONOPHOSPHATE
1,21EEK0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.79
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.79
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.79
CKE1-{7-cyclohexyl-6-[4-(4-methylpiperazin-
1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-
2-yl}methanamine
A2R6N0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.72
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.78
RW14-phenylpyrimidineA,B,C3B9S0.74
K254,5,6,7-TETRABROMO-N,N-DIMETHYL-
1H-BENZIMIDAZOL-2-AMINE
A1ZOE0.74
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.75
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.74
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.76
OLOOLOMOUCINEA4ERK0.72
OLOOLOMOUCINEC1W0X0.72
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.73
VGD6-chloro-1H-benzimidazol-2-amineA,B,C,D2WD70.77
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.73
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL
A1YGJ0.7
AD5N~6~-cyclohexyl-N~2~-(4-morpholin-
4-ylphenyl)-9H-purine-2,6-diamine
A,B2VGO0.72
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A1BL70.74
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A3ERK0.74
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE
B311D0.72
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.76
9DA9-DEAZAADENINEA1L1R0.78
9DA9-DEAZAADENINEA1L1Q0.78
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.75
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.73
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G2M0.77
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
B,C1G320.77
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G360.77
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.73
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI70.71
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
H,I1GHV0.71
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GHZ0.71
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G930.72
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G5N0.72
QQQ1-(1-methylethyl)-1H-benzimidazole-
2-sulfonic acid
A,B,C,D3GNC0.85
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.8
MSR4-(1H-IMIDAZOL-1-YL)PHENOLA2ORQ0.71
7AC7-(aminomethyl)-6-(2-chlorophenyl)-
1-methyl-1H-benzimidazole-5-carbonitrile
A,B,C,D3CCC0.74
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.78
SCW3-bromo-6-phenyl-N-(pyrimidin-5-
ylmethyl)imidazo[1,2-a]pyridin-
8-amine
A2R3L0.74
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide
A3EXB0.81
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.75
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.81
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
H,I1C1U0.74
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1R0.74
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1P0.74
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1Q0.74
RFZ5,6-dichloro-1-beta-D-ribofuranosyl-
1H-benzimidazole
A,B3H300.7
5MB5-METHYLBENZIMIDAZOLEA1JHM0.82
GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-
F]QUINAZOLINE-1,3-DIAMINE
A,B1AOE0.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.7
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.72
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
A1BMK0.75
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.73
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.72
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE
A1L5K0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE
A2B0K0.72
VGF1-(3,4-DICHLOROBENZYL)-7-PHENYL-
1H-BENZIMIDAZOL-2-AMINE
A,B,C,D2WD80.74
TRM1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACIDA1FQ40.74
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.81
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.81
TMG2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLEA1YVM0.75
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B447D0.71
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B1QV80.71
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZYB0.77
K174,5,6,7-TETRABROMO-BENZIMIDAZOLEA,B2OXY0.74
D943-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-
1-(2-phenylquinolin-7-yl)imidazo[1,5-
a]pyrazin-8-amine
A3D940.71
RRCR-ROSCOVITINEA,B,C,D3DDQ0.7
RRCR-ROSCOVITINEA1YGK0.7
RRCR-ROSCOVITINEA1UNL0.7
RRCR-ROSCOVITINEA2A4L0.7
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I5A0.72
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE
A,B2NLM0.72
K445,6,7,8-TETRABROMO-1-METHYL-2,3-
DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE
A1ZOH0.77
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.73
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine
A3CGF0.81
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide
A3CGO0.72
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.77
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.77
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.77
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.77
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.77
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.77
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.77
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.77
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.77
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.77
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.76
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.74
BZIBENZIMIDAZOLEA1RYC0.86
BZIBENZIMIDAZOLEA1L5F0.86
BZIBENZIMIDAZOLEA1KXM0.86
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE
A2B6A0.8
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE
A1OIT0.75
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID
B,D,E,H1Y180.73
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID
A,D,E,F,H1Y0L0.73
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.78
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM
A2GTM0.74
OLP2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-
9-ISOPROPYLPURINE
A,B,C,D3BPR0.7
OLP2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-
9-ISOPROPYLPURINE
A2CMW0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.73
RMBN1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHYLBENZIMIDAZOLE
A1JHO0.7
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.73
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.75
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.75
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.75