Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01202411
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 |
205 | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE- 6-CARBOXYLIC ACID | A,B | 2F8I | 0.72 | |
MBC | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I2I | 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 | |
PNU | 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN- 5-YL-ETHYLSULFANYL)-PYRIMIDIN-4- YLAMINE | A | 1IKX | 0.7 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.71 | |
A37 | 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL- 2-YL)BENZENESULFONAMIDE | A,D,H,L | 2FHY | 0.72 | |
B4C | benzyl [(1S)-5-amino-1-{[(1S)-1- ({(1S)-5-amino-1-[(S)-1,3-benzoxazol- 2-yl(hydroxy)methyl]pentyl}carbamoyl)- 3-phenylpropyl]carbamoyl}pentyl]carbamate | B | 3E16 | 0.74 | |
MR4 | 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL | A,B | 2QGC | 0.75 | |
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 | |
LS3 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2- BENZOTHIEN-5-YL)AMINO]METHYLENE}- 5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO- 2H-INDOL-2-ONE | A | 1KE7 | 0.76 | |
JPR | 1-(3-chloro-4-methylphenyl)-3-{2- [({5-[(dimethylamino)methyl]-2- furyl}methyl)thio]ethyl}urea | A | 2JPR | 0.71 | |
MR6 | 2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE | A,B | 2QGE | 0.77 | |
544 | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1K74 | 0.73 | |
544 | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,C,E,G | 1K7L | 0.73 | |
MR5 | 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL | A,B | 2QGD | 0.71 | |
AAZ | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]- 5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL- 2-AMINE | A | 1Y6A | 0.86 | |
041 | 2-(3-FLUORO-4-HYDROXYPHENYL)-7- VINYL-1,3-BENZOXAZOL-5-OL | A,B | 1X7B | 0.71 | |
GW4 | N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]- 3-{4-[2-(5-METHYL-2-PHENYL-1,3- OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE | A,B | 2POB | 0.74 | |
DRH | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4P | 0.75 | |
DRH | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4Z | 0.75 | |
471 | N-((2S)-2-({(1Z)-1-METHYL-3-OXO- 3-[4-(TRIFLUOROMETHYL) PHENYL]PROP- 1-ENYL}AMINO)-3-{4-[2-(5-METHYL- 2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE | A,B,C,D | 1KKQ | 0.72 | |
A74 | 2,5-DICHLORO-N-[5-METHOXY-7-(6- METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL- 2-YL]BENZENESULFONAMIDE | A,D,H,L | 2FIE | 0.73 | |
AAX | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)- 3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3- OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | A | 1Y6B | 0.78 | |
REW | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3- (2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)- 4-OXOAZETIDINE-2-CARBOXYLIC ACID | A | 2REW | 0.7 | |
DRJ | (2R)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4J | 0.75 | |
B3C | benzyl [(1R)-1-({(2S,4R)-2-({(1S)- 5-amino-1-[(S)-1,3-benzoxazol-2- yl(hydroxy)methyl]pentyl}carbamoyl)- 4-[(4-methylbenzyl)oxy]pyrrolidin- 1-yl}carbonyl)-3-phenylpropyl]carbamate | B | 3E0P | 0.72 | |
SF2 | 5-CHLORO-1-(3-METHOXYBENZYL)-3- (PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q6R | 0.71 | |
YBH | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- BUTYRIC ACID | A | 1RWX | 0.71 | |
570 | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1RDT | 0.72 | |
570 | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1FM9 | 0.72 | |
NVC | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol- 2-yl)pyrrolidin-1-yl]carbonyl}hexyl]- N-hydroxyformamide | A | 3E3U | 0.74 | |
870 | N-[7-(3-AMINOPHENYL)-5-METHOXY- 1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE | A,D,H,L | 2FIX | 0.75 | |
2CA | BENZOFURAN-2-CARBOXYLIC ACID {(S)- 3-METHYL-1-[3-OXO-1-(PYRIDIN-2- YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE | A,B | 1NLJ | 0.71 | |
792 | N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}- 5-methyl-D-tryptophan | A,B,C,D | 3G42 | 0.71 | |
NSI | 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)- 1-[3-(TRIFLUOROMETHYL)BENZYL]-1H- INDOLE-2-CARBOXAMIDE | A | 2HFP | 0.71 | |
GNF | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL- N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}- L-ALANINAMIDE | A,B | 2F1G | 0.77 | |
5PI | N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL- N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}- L-GLUTAMAMIDE | H,L | 1WV7 | 0.7 | |
P41 | 6-[4-(2-fluorophenyl)-1,3-oxazol- 5-yl]-N-(1-methylethyl)-1,3-benzothiazol- 2-amine | A | 3C5U | 0.77 |