Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03946469
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 |
H35 | N-(FURAN-2-YLMETHYL)-7H-PURIN-6- AMINE | A | 2UY5 | 0.71 | |
655 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | B | 1O3P | 0.72 | |
655 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | A | 1O2I | 0.72 | |
E89 | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A,D | 1Y5X | 0.71 | |
310 | N-carbamimidoyl-2-[2-(2-chlorophenyl)- 5-[4-(4-ethanoylphenoxy)phenyl]pyrrol- 1-yl]ethanamide | A | 2ZDZ | 0.72 | |
T12 | 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]- 1H-BENZIMIDAZOL-5-YL PIVALATE | A,B,C,D | 2NRU | 0.73 | |
ST8 | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)- 5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | A,B,C,D | 1OGU | 0.72 | |
780 | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O39 | 0.71 | |
780 | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3D | 0.71 | |
780 | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3C | 0.71 | |
780 | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3A | 0.71 | |
780 | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3B | 0.71 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | B | 1LPG | 0.72 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | A | 1LQE | 0.72 | |
NH8 | 3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1- methyl-1H-imidazol-5-yl)methyl]- 5-nitro-1-benzofuran-7-yl}benzonitrile | A,B | 2ZIS | 0.73 | |
656 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2K | 0.72 | |
656 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2J | 0.72 | |
GNF | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL- N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}- L-ALANINAMIDE | A,B | 2F1G | 0.71 | |
FRL | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)- 1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1WXZ | 0.71 | |
E96 | 4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE- 5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY- BENZENE] | A | 453D | 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 | 0.75 | |
GIG | METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- 1H-BENZIMIDAZOL-2-YL)CARBAMATE | A | 2OH4 | 0.7 | |
W03 | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]- PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]- PHENOL | 1,4 | 1QJY | 0.7 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A,B | 403D | 0.72 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A | 129D | 0.72 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A,B | 130D | 0.72 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A | 3F8C | 0.72 | |
GS2 | 2-[(2-{[1-(N,N-dimethylglycyl)- 5-methoxy-1H-indol-6-yl]amino}- 7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]- 6-fluoro-N-methylbenzamide | A | 3EKK | 0.71 | |
693 | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-2'-FLUORO-6- OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | A | 1O30 | 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 | |
950 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2O | 0.71 | |
785 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE | A | 1O3M | 0.71 | |
785 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE | A | 1O3O | 0.71 | |
785 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE | A | 1O3N | 0.71 | |
N41 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN- 2-YLAMINO)--BENZAMIDE | A,B,C,D | 1OIY | 0.72 | |
607 | 2-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'- BIPHENYL-3-YL)SUCCINATE | A | 1O36 | 0.71 | |
ZAA | (5-{3-[2-(5-methyl-2-phenyl-1,3- oxazol-4-yl)ethoxy]benzyl}-2-phenyl- 2H-1,2,3-triazol-4-yl)acetic acid | A | 3BC5 | 0.71 | |
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 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | H | 1O5D | 0.71 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | H | 1O5F | 0.71 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | B | 1O5C | 0.71 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | H,I | 1O5G | 0.71 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | A | 1O2R | 0.71 | |
MBC | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I2I | 0.89 | |
B35 | 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)- 2-(2-methoxy-5-nitrophenyl)ethyl]- 1H-imidazol-2-amine | A,B,C | 3H0B | 0.71 | |
SU9 | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)- 5-METHOXY-1H-INDOL-2(3H)-ONE | A | 1PF8 | 0.7 | |
N1H | H | 2F9B | 0.7 | ||
215 | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN- 1-ONE OXIME | A,B | 2FB8 | 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 | |
BZC | A | 1EFY | 0.74 |