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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00141459

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VGD6-chloro-1H-benzimidazol-2-amineA,B,C,D2WD70.7
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE		A1NHX0.7
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine		A3CGF0.73
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		B,D,E,H1Y180.76
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		A,D,E,F,H1Y0L0.76
IM92-{4-[4-({4-[2-methyl-1-(1-methylethyl)-
1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-
1-yl}-2-oxoethanol		A2VV90.72
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZYB0.71
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2I0.73
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2J0.73
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2H0.73
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2D0.73
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2E0.73
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		B447D0.72
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		B1QV80.72
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.7
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.71
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.71
NVG4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-
2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-
L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-
ONE		A,B2V2Q0.7
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE		A,B,C,D2AJ80.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		H,I1C1U0.72
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1R0.72
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1P0.72
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1Q0.72
MBZ1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-
BENZOIMIDAZOLE-5'-MONOPHOSPHATE		1,21EEK0.7
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium		A2RD60.74
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE		A1TV60.73
BPG9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINEA,B1QHI0.7
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
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.7
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE		A1L5K0.71
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine		A2W170.72
LI8N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-
1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-
4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE		A1Z5M0.7
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.73
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.73
3568-[(3R)-3-Aminopiperidin-1-yl]-
7-but-2-yn-1-yl-3-methyl-1-[(4-
methylquinazolin-2-yl)methyl]-3,7-
dihydro-1H-purine-2,6-dione		A,B2RGU0.71
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.72
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2G0.7
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2F0.7
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEH,I,L1C1W0.7
K445,6,7,8-TETRABROMO-1-METHYL-2,3-
DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE		A1ZOH0.74
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE		A2B6A0.76
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.72
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GI70.75
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		H,I1GHV0.75
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		A1GHZ0.75
V125'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-
5'-DEOXYCYTIDINE		A,B2V2V0.7
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2G0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2H0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2HKC0.72
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide		A3EXB0.84
BZIBENZIMIDAZOLEA1RYC0.75
BZIBENZIMIDAZOLEA1L5F0.75
BZIBENZIMIDAZOLEA1KXM0.75
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine		A2R3H0.71
MBB2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-
5-(4-METHYL-1-PIPERAZINYL)-2,5'-
BI-BENZIMIDAZOLE		B1QV40.71
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE		A2OJ90.74
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.73
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE		A1M510.72
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide		A3CGO0.72
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE		A1OIQ0.76
TRM1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACIDA1FQ40.72
QQQ1-(1-methylethyl)-1H-benzimidazole-
2-sulfonic acid		A,B,C,D3GNC0.8
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
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE		A1BL60.71
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE		B311D0.71
5MB5-METHYLBENZIMIDAZOLEA1JHM0.74
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUH0.72
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUI0.72