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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00490039

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1722-AMINO-5-HYDROXY-BENZIMIDAZOLEA1FV90.72
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.73
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2I0.75
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2J0.75
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2H0.75
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2D0.75
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2E0.75
D1B2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE		A1VZK0.71
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium		A2RD60.72
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2G0.74
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2F0.74
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEH,I,L1C1W0.74
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE		A1OIT0.71
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		B447D0.77
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE		B1QV80.77
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.79
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.79
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM		A2GTM0.71
IZZ(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-
b]pyridazin-6-yl]amino}-3-methylbutan-
1-ol		A3F2N0.71
L0FN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE		A2W1F0.7
AD5N~6~-cyclohexyl-N~2~-(4-morpholin-
4-ylphenyl)-9H-purine-2,6-diamine		A,B2VGO0.73
K254,5,6,7-TETRABROMO-N,N-DIMETHYL-
1H-BENZIMIDAZOL-2-AMINE		A1ZOE0.75
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE		A,C2JC60.72
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE		A2PVM0.76
QQQ1-(1-methylethyl)-1H-benzimidazole-
2-sulfonic acid		A,B,C,D3GNC0.78
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.73
IDZ3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLEA2C3L0.8
L0G2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-
1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-
IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-
3-IUM		A2W1G0.7
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.74
BAZBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINCA1XUF0.72
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine		A2R3H0.73
BZIBENZIMIDAZOLEA1RYC0.88
BZIBENZIMIDAZOLEA1L5F0.88
BZIBENZIMIDAZOLEA1KXM0.88
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.82
L0E4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-
1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-
5-YL)METHYL]MORPHOLIN-4-IUM		A2W1E0.7
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide		A,B,C,D,E3FAA0.7
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A,B2QXM0.74
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE		A1HZ00.74
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
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GI70.76
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		H,I1GHV0.76
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		A1GHZ0.76
MBB2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-
5-(4-METHYL-1-PIPERAZINYL)-2,5'-
BI-BENZIMIDAZOLE		B1QV40.75
TMG2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLEA1YVM0.76
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE		A1OIQ0.72
9DA9-DEAZAADENINEA1L1R0.77
9DA9-DEAZAADENINEA1L1Q0.77
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine		A3CGF0.72
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE		B311D0.78
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE		A2B6A0.74
TRM1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACIDA1FQ40.79
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine		A,G3FSI0.74
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		A1O2S0.72
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		B1P570.72
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A2IZT0.72
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A2CDZ0.72
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A,B2F570.72
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I5A0.78
FR0N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-
2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE		A1NDV0.74
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.72
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUH0.75
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUI0.75
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE		A2B0K0.78
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.84
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine		A3CQU0.7
EZV4-{3-[7-(4-methylpiperazin-1-yl)-
1H-benzimidazol-2-yl]-1H-indazol-
6-yl}aniline		A,C,D3F5X0.75
EZV4-{3-[7-(4-methylpiperazin-1-yl)-
1H-benzimidazol-2-yl]-1H-indazol-
6-yl}aniline		A3EZV0.75
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE		A1O350.71
5CP[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]-6-(methylamino)pyrimidin-
2-yl}amino)phenyl]acetonitrile		A,B3BHH0.71
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine		A2ZYB0.72
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.72
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM		A1Y8J0.73
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.74
K174,5,6,7-TETRABROMO-BENZIMIDAZOLEA,B2OXY0.7
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide		A3EXB0.77
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		H,I1C1U0.8
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1R0.8
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1P0.8
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE		A1C1Q0.8
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.76
5OB5-METHOXYBENZIMIDAZOLEA1JHP0.71
5MB5-METHYLBENZIMIDAZOLEA1JHM0.85
APJN~2~-1H-benzimidazol-5-yl-N~4~-
(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-
2,4-diamine		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N		3FBV0.77
L0HN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE		A2W1H0.7
VGD6-chloro-1H-benzimidazol-2-amineA,B,C,D2WD70.83
C024-(5-BENZENESULFONYLAMINO-1-METHYL-
1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE		B,C1KTT0.7
L0I4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-
1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-
6-YL)METHYL]MORPHOLIN-4-IUM		A,B2W1I0.7
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.78
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.78
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.78
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.78
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.78
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.78
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.78
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.83
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE		A1M510.7
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE		A,B2NLM0.78
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2G0.73
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2Z2H0.73
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE		A2HKC0.73