Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00733735
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 |
4DP | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.71 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1Q41 | 0.72 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1UNH | 0.72 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A | 2QKR | 0.72 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.73 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.71 | |
SG2 | 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE- 5-SULFONIC ACID AMIDE | A | 1KWR | 0.7 | |
BRW | 6-BROMOINDIRUBIN-3'-OXIME | A | 1UV5 | 0.77 | |
AAA | (2-ACETYL-5-METHYLANILINO)(2,6- DIBROMOPHENYL)ACETAMIDE | A | 1HNI | 0.82 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.7 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.7 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.7 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.7 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.7 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.7 | |
LS5 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}- 2-OXO-2,3-DIHYDRO-1H-INDOLE | A | 1KE9 | 0.7 | |
PYQ | PYROQUILON | A | 1JA9 | 0.73 | |
PYQ | PYROQUILON | A,B,C,D | 1G0O | 0.73 | |
R01 | (4'-{[ALLYL(METHYL)AMINO]METHYL}- 1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | A,B,C | 1H35 | 0.7 | |
SX5 | 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid | A,B | 3CJ4 | 0.75 | |
SX4 | 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin- 1-yl]carbonyl}aniline | A,B | 3CJ3 | 0.78 | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.74 | |
GF7 | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.74 | |
NNB | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate | A | 2VG6 | 0.79 | |
C16 | 4-(4-methyl-1,3-dioxo-1,3-dihydro- 2H-isoindol-2-yl)benzonitrile | A | 3BNZ | 0.75 | |
ISN | ISATIN | A,B | 1OJA | 0.83 | |
ISN | ISATIN | A,B | 2BK5 | 0.83 | |
AAP | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1VRU | 0.7 | |
AAP | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1HPZ | 0.7 | |
SX3 | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}aniline | A,B | 3CJ2 | 0.78 | |
575 | (4Z)-6-bromo-4-({[4-(pyrrolidin- 1-ylmethyl)phenyl]amino}methylidene)isoquinoline- 1,3(2H,4H)-dione | A,B,C,D | 2ZM3 | 0.77 | |
SX6 | N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)-4-morpholin- 4-yl-4-oxobutanamide | A,B | 3CJ5 | 0.74 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.74 | |
ZES | [3-(4-BROMO-2-FLUORO-BENZYL)-7- CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H- QUINAZOLIN-1-YL]-ACETIC ACID | A | 1IEI | 0.7 | |
BRY | A | 2BHE | 0.88 | ||
665 | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 0.73 | |
INR | A,C | 1E9H | 0.74 | ||
INR | A | 1UZU | 0.74 | ||
INR | A,B | 1V0O | 0.74 | ||
NNI | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate | A | 2VG7 | 0.72 | |
LS1 | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | A | 1KE5 | 0.72 |