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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02303320

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.7
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.71
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE
A2B0K0.81
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE
A2B6A0.78
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
A1O2S0.75
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
B1P570.75
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI70.8
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
H,I1GHV0.8
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GHZ0.8
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O380.72
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O370.72
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.71
NVG4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-
2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-
L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-
ONE
A,B2V2Q0.72
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.75
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I5A0.81
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine
A3CGF0.75
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.8
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.8
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.8
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.8
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.8
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.8
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.8
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.8
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.8
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.8
MBB2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-
5-(4-METHYL-1-PIPERAZINYL)-2,5'-
BI-BENZIMIDAZOLE
B1QV40.78
DA1PYRIDINE-2,5-DIAMINEA2AQD0.7
K254,5,6,7-TETRABROMO-N,N-DIMETHYL-
1H-BENZIMIDAZOL-2-AMINE
A1ZOE0.75
TMG2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLEA1YVM0.8
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O390.71
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3D0.71
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3C0.71
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3A0.71
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3B0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.78
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.78
TRM1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACIDA1FQ40.83
BAZBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINCA1XUF0.75
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.71
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O340.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O310.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O330.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O320.72
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.73
AD5N~6~-cyclohexyl-N~2~-(4-morpholin-
4-ylphenyl)-9H-purine-2,6-diamine
A,B2VGO0.77
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.82
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.82
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.82
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.82
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.82
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.82
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.82
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.82
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.82
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.71
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2I0.78
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2J0.78
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2H0.78
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2D0.78
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2E0.78
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.82
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2G0.77
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2F0.77
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEH,I,L1C1W0.77
K174,5,6,7-TETRABROMO-BENZIMIDAZOLEA,B2OXY0.71
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.7
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.72
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.78
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.8
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.71
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE
A,B2NLM0.81
1722-AMINO-5-HYDROXY-BENZIMIDAZOLEA1FV90.73
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.78
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide
A3CGO0.71
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE
A1O350.73
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium
A2RD60.75
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
H,I1C1U0.84
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1R0.84
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1P0.84
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1Q0.84
VGD6-chloro-1H-benzimidazol-2-amineA,B,C,D2WD70.84
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.76
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
A1NHX0.71
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
3FBV0.73
BZIBENZIMIDAZOLEA1RYC0.89
BZIBENZIMIDAZOLEA1L5F0.89
BZIBENZIMIDAZOLEA1KXM0.89
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.76
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,B2VOT0.72
OLOOLOMOUCINEA4ERK0.71
OLOOLOMOUCINEC1W0X0.71
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI00.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GI80.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GHW0.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI10.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI30.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHX0.73
BOZBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINCA1XUJ0.71
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.72
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.72
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.79
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.78
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.76
IDZ3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLEA2C3L0.77
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE
A1M510.73
V125'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-
5'-DEOXYCYTIDINE
A,B2V2V0.72
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI40.73
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI20.73
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A1BL70.71
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A3ERK0.71
IMK2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-
1-BENZIMIDAZOLE
A1XKX0.7
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID
B,D,E,H1Y180.72
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID
A,D,E,F,H1Y0L0.72
D943-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-
1-(2-phenylquinolin-7-yl)imidazo[1,5-
a]pyrazin-8-amine
A3D940.71
FR0N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-
2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE
A1NDV0.75
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.85
DBN6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-
2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-
2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE
A2B3E0.73
EZV4-{3-[7-(4-methylpiperazin-1-yl)-
1H-benzimidazol-2-yl]-1H-indazol-
6-yl}aniline
A,C,D3F5X0.73
EZV4-{3-[7-(4-methylpiperazin-1-yl)-
1H-benzimidazol-2-yl]-1H-indazol-
6-yl}aniline
A3EZV0.73
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.72
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.72
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUH0.78
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUI0.78
C024-(5-BENZENESULFONYLAMINO-1-METHYL-
1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE
B,C1KTT0.72
9DA9-DEAZAADENINEA1L1R0.81
9DA9-DEAZAADENINEA1L1Q0.81
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide
A,B,C,D,E3FAA0.71
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.74
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.76
GVK6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-
4-YL]PHENYL}-9H-PURINE
A2UW00.7
5OB5-METHOXYBENZIMIDAZOLEA1JHP0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.74
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.74
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.74
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.74
5MB5-METHYLBENZIMIDAZOLEA1JHM0.85
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZYB0.73
VGF1-(3,4-DICHLOROBENZYL)-7-PHENYL-
1H-BENZIMIDAZOL-2-AMINE
A,B,C,D2WD80.72
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
A1BMK0.72
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.74
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.82
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM
A2GTM0.74
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE
A1OIT0.74
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide
A3EXB0.78
QQQ1-(1-methylethyl)-1H-benzimidazole-
2-sulfonic acid
A,B,C,D3GNC0.8
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE
B311D0.81
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE
A2PVM0.73
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G2M0.81
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
B,C1G320.81
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G360.81
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
D1B2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE
A1VZK0.74
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2J6M0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2JIU0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2ITT0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2ITP0.72
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B447D0.8
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B1QV80.8