MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00270298

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
084	4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE	A	1OUK	0.71
RKA	N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE	A	2GYX	0.73
EMU	N-BENZYL-9H-PURIN-6-AMINE	A	1W1S	0.72
SB2	4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE	A	2EWA	0.72
SB2	4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE	A	1A9U	0.72
SB2	4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE	A	1PME	0.72
653	5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE	A	1O38	0.72
653	5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE	A	1O37	0.72
IDZ	3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE	A	2C3L	0.71
BAK	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE	A	1C2I	0.73
BAK	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE	A	1C2J	0.73
BAK	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE	A	1C2H	0.73
BAK	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE	A	1C2D	0.73
BAK	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE	A	1C2E	0.73
SCW	3-bromo-6-phenyl-N-(pyrimidin-5- ylmethyl)imidazo[1,2-a]pyridin- 8-amine	A	2R3L	0.7
GVI	N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE	A	2UVY	0.75
R11	4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE	A	1G2M	0.75
R11	4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE	B,C	1G32	0.75
R11	4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE	A	1G36	0.75
130	2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE	B	1GJB	0.71
130	2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE	H,I	1GJ5	0.71
130	2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE	B	1GJC	0.71
PIQ	2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE	A,B	2QXM	0.7
PIQ	2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE	A	1HZ0	0.7
BAI	(5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE	H,I	1C1U	0.77
BAI	(5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE	A	1C1R	0.77
BAI	(5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE	A	1C1P	0.77
BAI	(5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE	A	1C1Q	0.77
IZA	2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE	A	3EYH	0.7
IZA	2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE	A,B	2B7A	0.7
IZA	2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE	A,B	2J90	0.7
BAZ	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC	A	1XUF	0.72
IP6	N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE- 2,3-DIAMINE	A	2OHT	0.7
CP7	6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE	A	2BLC	0.71
CP7	6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE	A	2BLB	0.71
BAH	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE	A	1C2G	0.72
BAH	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE	A	1C2F	0.72
BAH	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE	H,I,L	1C1W	0.72
T50	1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)- 4-METHYL-1H-BENZIMIDAZOLE	A	2B6A	0.73
BBZ	2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE	B	447D	0.75
BBZ	2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE	B	1QV8	0.75
D23	6-(3-AMINOPHENYL)-N-(TERT-BUTYL)- 2-(TRIFLUOROMETHYL)QUINAZOLIN-4- AMINE	A	2B53	0.7
OA4	5-methyl-6-phenylquinazoline-2,4- diamine	A	2W6P	0.7
C02	4-(5-BENZENESULFONYLAMINO-1-METHYL- 1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE	B,C	1KTT	0.71
D13	4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE	A	1IAN	0.72
D2A	2-(4'-AMIDINOBIPHENYL-4-YL)-1H- BENZIMIDAZOLE-5-AMIDINE	A	2B0K	0.83
BAB	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE	A	1G9B	0.77
BAB	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE	A	1G9C	0.77
BAB	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE	A	1XUG	0.77
BAB	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE	A	1G9A	0.77
BAB	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE	A	1C1T	0.77
BAB	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE	A	1G9D	0.77
BAB	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE	H,I	1C1V	0.77
BAB	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE	A	1C1S	0.77
BAB	BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE	A	1XUK	0.77
GVJ	(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE	A	2UVZ	0.76
DF1	(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3- D]PYRIMIDIN-4-YL)AMINO]PROPAN-2- OL	A	2BRN	0.7
DB9	2-{4'-[AMINO(IMINO)METHYL]BIPHENYL- 3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE	A,B	2NLM	0.84
A56	6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE- 2,4-DIAMINE	A,B,C,D	2QF6	0.74
PIM	4-PHENYL-1H-IMIDAZOLE	A,B	2D0T	0.74
PIM	4-PHENYL-1H-IMIDAZOLE	A	1E9X	0.74
PIM	4-PHENYL-1H-IMIDAZOLE	A	1PHD	0.74
PIM	4-PHENYL-1H-IMIDAZOLE	A,B,C,D	2RFC	0.74
PIM	4-PHENYL-1H-IMIDAZOLE	A	1ODO	0.74
PIM	4-PHENYL-1H-IMIDAZOLE	A	3E5K	0.74
PIM	4-PHENYL-1H-IMIDAZOLE	A	1PHE	0.74
PIM	4-PHENYL-1H-IMIDAZOLE	A,B	1F4T	0.74
PIM	4-PHENYL-1H-IMIDAZOLE	A	1S1F	0.74
PIM	4-PHENYL-1H-IMIDAZOLE	A	1PHF	0.74
MI2	2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE	A	2G8T	0.7
334	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-BROMO-4-METHYLBENZENOLATE	A	1O3K	0.74
334	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-BROMO-4-METHYLBENZENOLATE	A	1O3J	0.74
7IG	5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE	A	2IKO	0.7
7IG	5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE	A	2G24	0.7
HT2	5-AMIDINO-2-[2-(4-AMIDINOPHENYL)- 5-BENZIMIDAZOLYL]BENZIMIDAZOLE	B	311D	0.8
22M	2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE	A	2G5V	0.7
MBB	2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)- 5-(4-METHYL-1-PIPERAZINYL)-2,5'- BI-BENZIMIDAZOLE	B	1QV4	0.76
KSL	N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine	A	2ZYB	0.72
5MB	5-METHYLBENZIMIDAZOLE	A	1JHM	0.72
DFZ	3-AMINO-3-BENZYL-[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE	A	2BRM	0.7
EZV	4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline	A,C,D	3F5X	0.72
EZV	4-{3-[7-(4-methylpiperazin-1-yl)- 1H-benzimidazol-2-yl]-1H-indazol- 6-yl}aniline	A	3EZV	0.72
D1B	2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE	A	1VZK	0.73
DX2	6-phenylpteridine-2,4,7-triamine	A,B,C,D	3BME	0.72
ABI	5-AMIDINO-BENZIMIDAZOLE	A	1C2K	0.72
780	3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O39	0.73
780	3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O3D	0.73
780	3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O3C	0.73
780	3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O3A	0.73
780	3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE	A	1O3B	0.73
DMD	5,6-DIMETHYLBENZIMIDAZOLE	A	1D0S	0.73
GVK	6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN- 4-YL]PHENYL}-9H-PURINE	A	2UW0	0.72
AEE	6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE	A	2J6M	0.72
AEE	6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE	A	2JIU	0.72
AEE	6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE	A	2ITT	0.72
AEE	6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE	A	2ITP	0.72
BAO	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE	A	1XUH	0.72
BAO	BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE	A	1XUI	0.72
M1B	2-{3'-[AMINO(IMINO)METHYL]BIPHENYL- 4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE	A	2I5A	0.84