Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03489031
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
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 |
N41 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN- 2-YLAMINO)--BENZAMIDE | A,B,C,D | 1OIY | 0.71 | |
AK6 | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3- b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | A | 3DJ6 | 0.71 | |
IZE | N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO- 3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}- 1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL- 2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE | A | 2CNG | 0.71 | |
VDN | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A | 1XP0 | 0.71 | |
VDN | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A,B | 3B2R | 0.71 | |
VDN | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A,B | 1XOT | 0.71 | |
VDN | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A | 1UHO | 0.71 | |
BZC | A | 1EFY | 0.81 | ||
847 | 2-(3-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE | A | 1O2V | 0.71 | |
847 | 2-(3-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE | A | 1O2Y | 0.71 | |
847 | 2-(3-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE | A | 1O2U | 0.71 | |
847 | 2-(3-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE | A | 1O2X | 0.71 | |
847 | 2-(3-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE | A | 1O2W | 0.71 | |
ABO | 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H- INDAZOL-6-YL]-2-METHOXYPHENOL | A | 2C3K | 0.7 | |
C1B | H | 2B7D | 0.72 | ||
GIG | METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- 1H-BENZIMIDAZOL-2-YL)CARBAMATE | A | 2OH4 | 0.73 | |
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 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | H | 1O5D | 0.74 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | H | 1O5F | 0.74 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | B | 1O5C | 0.74 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | H,I | 1O5G | 0.74 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | A | 1O2R | 0.74 | |
BMZ | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI0 | 0.71 | |
BMZ | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | B | 1GI8 | 0.71 | |
BMZ | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I | 1GHW | 0.71 | |
BMZ | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI1 | 0.71 | |
BMZ | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI3 | 0.71 | |
BMZ | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I,L | 1GHX | 0.71 | |
785 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE | A | 1O3M | 0.74 | |
785 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE | A | 1O3O | 0.74 | |
785 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE | A | 1O3N | 0.74 | |
607 | 2-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'- BIPHENYL-3-YL)SUCCINATE | A | 1O36 | 0.74 | |
GNF | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL- N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}- L-ALANINAMIDE | A,B | 2F1G | 0.71 | |
NSI | 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)- 1-[3-(TRIFLUOROMETHYL)BENZYL]-1H- INDOLE-2-CARBOXAMIDE | A | 2HFP | 0.72 | |
IZB | N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)- 2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]PHENYL}ETHYL]-4-METHYL-3,4- DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE | A | 2CNH | 0.82 | |
693 | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-2'-FLUORO-6- OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | A | 1O30 | 0.74 | |
E96 | 4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE- 5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY- BENZENE] | A | 453D | 0.71 | |
T12 | 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]- 1H-BENZIMIDAZOL-5-YL PIVALATE | A,B,C,D | 2NRU | 0.72 | |
276 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]- 3H-benzimidazol-5-yl]oxy]-N-methyl- pyridine-2-carboxamide | A | 2QU5 | 0.71 | |
5PI | N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL- N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}- L-GLUTAMAMIDE | H,L | 1WV7 | 0.71 | |
950 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2O | 0.75 | |
CR4 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}BENZENOLATE | A | 1O2S | 0.72 | |
CR4 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}BENZENOLATE | B | 1P57 | 0.72 | |
122 | 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI4 | 0.71 | |
122 | 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | A | 1GI2 | 0.71 | |
312 | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-2'-METHOXY-6- OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | A | 1O2Z | 0.79 | |
AAX | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)- 3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3- OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | A | 1Y6B | 0.7 | |
SU9 | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)- 5-METHOXY-1H-INDOL-2(3H)-ONE | A | 1PF8 | 0.74 | |
972 | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO- 1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2P | 0.72 | |
BLZ | 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL- 1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}- 2-THIOPHENECARBOXAMIDE | A,C | 2I40 | 0.71 | |
E97 | [3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)- PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL- 2-YL}-PHENOXY)-PROPYL]-DIMETHYL- AMINE | A | 1FTD | 0.75 | |
655 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | B | 1O3P | 0.76 | |
655 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | A | 1O2I | 0.76 | |
802 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-4-FLUOROBENZENOLATE | A | 1O35 | 0.71 | |
1SM | METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN- 2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | A,B | 1T9C | 0.7 | |
1SM | METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN- 2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | A | 1YI0 | 0.7 | |
653 | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE | A | 1O38 | 0.71 | |
653 | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE | A | 1O37 | 0.71 | |
123 | 2-(2-HYDROXY-5-METHOXY-PHENYL)- 1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI9 | 0.74 | |
123 | 2-(2-HYDROXY-5-METHOXY-PHENYL)- 1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GI5 | 0.74 | |
320 | 2-(4-fluorophenyl)-N-{[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | A | 3CTJ | 0.72 | |
DX8 | 2-amino-6-(4-methoxyphenyl)-4-oxo- 4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine- 5-carbonitrile | A,B,C,D | 3BMK | 0.72 | |
HXL | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | G | 2FJV | 0.77 | |
HXL | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | B | 2FJX | 0.77 | |
E89 | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A,D | 1Y5X | 0.75 | |
GS7 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)- 7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | A | 3ELJ | 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 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A,B | 403D | 0.73 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A | 129D | 0.73 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A,B | 130D | 0.73 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A | 3F8C | 0.73 | |
133 | 6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY- PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GJ8 | 0.73 | |
711 | 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN- 4-YL]OXY]-2-METHYL-BENZIMIDAZOL- 1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID | A | 1QBO | 0.71 | |
MBC | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I2I | 0.84 | |
656 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2K | 0.76 | |
656 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2J | 0.76 |