Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00191199
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 |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.7 | ![]() |
3B9![]() | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.7 | ![]() |
974![]() | 1-[2-[5-[AMINO(IMINO)METHYL]-2- HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO- 1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN- 4-YL]PIPERIDINE-3-CARBOXYLIC ACID | A | 1QB1 | 0.7 | ![]() |
123![]() | 2-(2-HYDROXY-5-METHOXY-PHENYL)- 1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI9 | 0.71 | ![]() |
123![]() | 2-(2-HYDROXY-5-METHOXY-PHENYL)- 1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GI5 | 0.71 | ![]() |
MYD![]() | {[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY- TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY- PHOSPHORYLMETHYL}-PHOSPHONIC ACID MONO- [2-(4-HYDROXY-6-METHOXY-7-METHYL- 3-OXO-1,3-DIHYDRO-ISOBENZOFURAN- 5-YL)-ETHYL] ESTER | A,B | 1NF7 | 0.72 | ![]() |
C1B![]() | H | 2B7D | 0.74 | ![]() | |
LN1![]() | (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}- N-(2-formylindolizin-3-yl)-3-sulfino- D-valine | A | 3D4F | 0.7 | ![]() |
T12![]() | 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]- 1H-BENZIMIDAZOL-5-YL PIVALATE | A,B,C,D | 2NRU | 0.77 | ![]() |
DRJ![]() | (2R)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4J | 0.73 | ![]() |
338![]() | 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3- BENZOOXAZOL-6-OL | A,B | 1U3R | 0.72 | ![]() |
688![]() | 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]- 6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2- YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID | A | 1QBN | 0.73 | ![]() |
NMD![]() | N-NAPHTHALEN-1-YLMETHYL-2'-[3,5- DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | A,B,C,D,E,F | 1I32 | 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 | ![]() |
MSD![]() | 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY- PHENYL)-CYCLOPROPYL]-3-(5-CYANO- PYRIDIN-2-YL)-THIOUREA | A | 1IKY | 0.7 | ![]() |
DRH![]() | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4P | 0.73 | ![]() |
DRH![]() | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4Z | 0.73 | ![]() |
G98![]() | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(1S)-3-amino- 1-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B,E,I,L,P | 3E8E | 0.7 | ![]() |
G98![]() | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(1S)-3-amino- 1-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B | 3E8D | 0.7 | ![]() |
312![]() | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-2'-METHOXY-6- OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | A | 1O2Z | 0.76 | ![]() |
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 | ![]() |
PU3![]() | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UYM | 0.7 | ![]() |
PU3![]() | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UY6 | 0.7 | ![]() |
E89![]() | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A,D | 1Y5X | 0.73 | ![]() |
HXL![]() | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | G | 2FJV | 0.72 | ![]() |
HXL![]() | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | B | 2FJX | 0.72 | ![]() |
MBC![]() | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I2I | 0.73 | ![]() |
BZC![]() | A | 1EFY | 0.73 | ![]() | |
3EA![]() | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL- 6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | A,B | 2ATH | 0.71 | ![]() |
MR4![]() | 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL | A,B | 2QGC | 0.71 | ![]() |
TND![]() | N-1,2,3,4-TETRAHYDRONAPHTH-1-YL- 2'-[3,5-DIMETHOXYBENZAMIDO]-2'- DEOXY-ADENOSINE | A,B,C,D,E,F | 1I33 | 0.73 | ![]() |
E97![]() | [3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)- PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL- 2-YL}-PHENOXY)-PROPYL]-DIMETHYL- AMINE | A | 1FTD | 0.7 | ![]() |
R64![]() | (1-METHYL-1H-IMIDAZOL-2-YL)-(3- METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)- AMINO]-PROPOXY}-BENZOFURAN-2-YL)- METHANONE | A,B,C | 1IYL | 0.76 | ![]() |