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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03285699

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE		A1NHX0.7
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I5A0.76
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		A2RD60.77
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
BOZBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINCA1XUJ0.7
L0C4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-
1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-
6-YL]METHYL}MORPHOLIN-4-IUM		A2W1C0.78
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
E896-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE		A,D1Y5X0.71
3122-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-METHOXY-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE		A1O2Z0.72
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE		A2B0K0.76
FR81-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1QXL0.71
C1BH2B7D0.72
L0E4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-
1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-
5-YL)METHYL]MORPHOLIN-4-IUM		A2W1E0.73
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJB0.71
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GJ50.71
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJC0.71
BGU2,6-diamino-1,7-dihydro-8H-imidazo[4,5-
g]quinazolin-8-one		A2Z7K0.74
S796-amino-2-[(1-naphthylmethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A2QZR0.75
DBG3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-
GUANYLATE ESTER		A1RVD0.72
DBG3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-
GUANYLATE ESTER		A1CLU0.72
S606-amino-2-methyl-1,7-dihydro-8H-
imidazo[4,5-g]quinazolin-8-one		A3C2Y0.75
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUH0.76
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUI0.76
6932-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-FLUORO-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE		A1O300.73
L0G2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-
1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-
IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-
3-IUM		A2W1G0.7
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		A1O2S0.7
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		B1P570.7
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.77
L0FN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE		A2W1F0.74
057N-(2-hydroxy-1,1-dimethylethyl)-
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-
2-yl)-1H-indole-5-carboxamide		A,B3FQH0.74
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		A1G2M0.72
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		B,C1G320.72
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE		A1G360.72
NVG4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-
2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-
L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-
ONE		A,B2V2Q0.74
6072-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'-
BIPHENYL-3-YL)SUCCINATE		A1O360.73
E97[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-
PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-
2-YL}-PHENOXY)-PROPYL]-DIMETHYL-
AMINE		A1FTD0.71
3446-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-
G]QUINAZOLIN-8-ONE		A2BBF0.71
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.77
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.71
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
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE		A,B2NLM0.76
MBC2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I2I0.78
G372-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-
2-YLMETHYLCARBAMOYL)-1-BENZYL-2-
HYDROXYPROPYL]-AMIDE		A1HTG0.75
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		B,D,E,H1Y180.7
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		A,D,E,F,H1Y0L0.7
146[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-
3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-
2-OXO-4,7-BIS(PHENYLMETHYL)-1H-
1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-
1H-BENZIMIDAZOL-2-YLBENZAMIDE]		B1QBT0.78
146[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-
3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-
2-OXO-4,7-BIS(PHENYLMETHYL)-1H-
1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-
1H-BENZIMIDAZOL-2-YLBENZAMIDE]		B1BWB0.78
L0HN-[3-(1H-BENZIMIDAZOL-2-YL)-1H-
PYRAZOL-4-YL]BENZAMIDE		A2W1H0.74
NZOnocodazoleA,B3EE20.77
IBB5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE		A109D0.71
1871-{3-[AMINO(IMINO)METHYL]PHENYL}-
N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-
3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-
5-CARBOXAMIDE		C1X7A0.72
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GI70.74
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		H,I1GHV0.74
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		A1GHZ0.74
MBB2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-
5-(4-METHYL-1-PIPERAZINYL)-2,5'-
BI-BENZIMIDAZOLE		B1QV40.71
CKR6-amino-2-[(2-morpholin-4-ylethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A3C2N0.77
E964-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-
5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-
BENZENE]		A453D0.73
IZA2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-
7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-
7-ONE		A3EYH0.76
IZA2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-
7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-
7-ONE		A,B2B7A0.76
IZA2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-
7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-
7-ONE		A,B2J900.76
K2C6,7,12,13-tetrahydro-5H-indolo[2,3-
a]pyrrolo[3,4-c]carbazol-5-one		A2R0P0.71
NEZ6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE		A1Y5W0.75
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.74
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.74
V125'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-
5'-DEOXYCYTIDINE		A,B2V2V0.73
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2I0.76
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2J0.76
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2H0.76
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2D0.76
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2E0.76
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1UML0.71
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE		G2FJV0.72
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE		B2FJX0.72
N414-(6-CYCLOHEXYLMETHOXY-9H-PURIN-
2-YLAMINO)--BENZAMIDE		A,B,C,D1OIY0.73
NE86-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-
8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE		A1Y5V0.75
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
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		A2W170.71
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2G0.76
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2F0.76
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEH,I,L1C1W0.76
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.75
L0I4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-
1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-
6-YL)METHYL]MORPHOLIN-4-IUM		A,B2W1I0.7
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE		B311D0.76
IMK2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-
1-BENZIMIDAZOLE		A1XKX0.75
IZEN-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-
3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-
1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-
2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE		A2CNG0.74
BZCA1EFY0.74