Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03017019
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 |
U1N![]() | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.75 | ![]() |
ISN![]() | ISATIN | A,B | 1OJA | 0.74 | ![]() |
ISN![]() | ISATIN | A,B | 2BK5 | 0.74 | ![]() |
CRI![]() | A,B | 1VKG | 0.74 | ![]() | |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.78 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.78 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.78 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.78 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.78 | ![]() |
BAN![]() | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.73 | ![]() |
NNB![]() | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate | A | 2VG6 | 0.71 | ![]() |
DA6![]() | 6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 366D | 0.71 | ![]() |
4PG![]() | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.7 | ![]() |
R01![]() | (4'-{[ALLYL(METHYL)AMINO]METHYL}- 1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | A,B,C | 1H35 | 0.72 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.72 | ![]() |
SX6![]() | N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)-4-morpholin- 4-yl-4-oxobutanamide | A,B | 3CJ5 | 0.75 | ![]() |
BFA![]() | 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2- DIMETHYLAMINO-ETHYL)-AMIDE | A,B | 1EG6 | 0.72 | ![]() |
IXS![]() | N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)- 1-methyl-2-oxoethyl]amino}ethyl]- N'-[(1R)-1-(4-fluorophenyl)ethyl]- 5-[methyl(methylsulfonyl)amino]isophthalamide | A | 2QZL | 0.73 | ![]() |
ICL![]() | [1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)- 2-METHYL-PROPYL]-CARBAMIC ACID TERT- BUTYL ESTER | A | 1INC | 0.71 | ![]() |
SX5![]() | 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid | A,B | 3CJ4 | 0.76 | ![]() |
BRW![]() | 6-BROMOINDIRUBIN-3'-OXIME | A | 1UV5 | 0.71 | ![]() |
FRP![]() | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)- 5-METHYL-6-OXO-1-PHENYLHEXAN-2- YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | A,B,C | 2FDP | 0.74 | ![]() |
DZ1![]() | N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide | A,B | 3ESN | 0.7 | ![]() |
23I![]() | N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL- 5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]- 2-METHYLPROPYL}AMINO)-4-METHYL- 5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]- N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | A,B,C,D | 2P4J | 0.7 | ![]() |
GIN![]() | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.77 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1T64 | 0.73 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1C3R | 0.73 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3F0R | 0.73 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3C10 | 0.73 | ![]() |
665![]() | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 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 | ![]() |
AN9![]() | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.78 | ![]() |
VG5![]() | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxo-2,3-dihydro-1H-pyrrol- 1-yl)benzamide | A | 2VJ6 | 0.7 | ![]() |
AAP![]() | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1VRU | 0.84 | ![]() |
AAP![]() | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1HPZ | 0.84 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.7 | ![]() |
BBM![]() | 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)- 3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE | A | 1S9J | 0.73 | ![]() |
TTT![]() | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.73 | ![]() |
LJ5![]() | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.7 | ![]() |
BRY![]() | A | 2BHE | 0.81 | ![]() | |
BEL![]() | 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]- N-(2',3'-DIOXOPROPYL)BENZAMIDE | A,B | 1OON | 0.7 | ![]() |
SX4![]() | 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin- 1-yl]carbonyl}aniline | A,B | 3CJ3 | 0.76 | ![]() |
AAA![]() | (2-ACETYL-5-METHYLANILINO)(2,6- DIBROMOPHENYL)ACETAMIDE | A | 1HNI | 1 | ![]() |
GA0![]() | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.72 | ![]() |