Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02240975
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 |
4AN![]() | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.79 | ![]() |
FPB![]() | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.7 | ![]() |
RXA![]() | isoquinoline-1,3,4(2H)-trione | A,B,C,D | 3DEH | 0.9 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.73 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.73 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.73 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.73 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.73 | ![]() |
DHQ![]() | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.89 | ![]() |
BVA![]() | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE | B,C | 2P8O | 0.72 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A | 1HSR | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A | 3GCK | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.74 | ![]() |
BFB![]() | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.7 | ![]() |
KHA![]() | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.75 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.76 | ![]() |
BSA![]() | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.71 | ![]() |
U1N![]() | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.72 | ![]() |
BSB![]() | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.71 | ![]() |
ALR![]() | ALRESTATIN | A | 1AZ1 | 0.77 | ![]() |
I06![]() | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.79 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.76 | ![]() |
008![]() | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.7 | ![]() |
BFI![]() | 2[4-BROMO-2-FLUOROPHENYL)METHYL]- 6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'- PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | A | 1PWL | 0.74 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.77 | ![]() |
PZQ![]() | PRAZIQUANTEL | A | 1GTB | 0.71 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.76 | ![]() |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.72 | ![]() |
APZ![]() | 4-AMINOPHTHALHYDRAZIDE | A | 1ENU | 0.71 | ![]() |
SAB![]() | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.7 | ![]() |