Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00769393
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 |
GBS![]() | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.71 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.71 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.71 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.71 | ![]() |
712![]() | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA- METHYL-D-PHENYLALANINATE | A | 2PH6 | 0.73 | ![]() |
4MP![]() | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.71 | ![]() |
BCG![]() | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID | H | 1QYG | 0.72 | ![]() |
878![]() | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.7 | ![]() |
C47![]() | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.7 | ![]() |
MDC![]() | N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN- 3-CARBOXAMIDE | A | 1A54 | 0.73 | ![]() |
IBA![]() | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | A | 1VCJ | 0.8 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.72 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.72 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.72 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.72 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.72 | ![]() |
AAF![]() | METHYL 4-{[({[(2R,5S)-5-{[(2S)- 2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN- 2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | B | 2G63 | 0.81 | ![]() |
3GV![]() | (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A,B | 3GVB | 0.7 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | P | 1JCM | 0.7 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBM | 0.7 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBL | 0.7 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBF | 0.7 | ![]() |
COC![]() | COCAINE | A,C | 1I7Z | 0.74 | ![]() |
COC![]() | COCAINE | H | 1Q72 | 0.74 | ![]() |
COC![]() | COCAINE | L | 2AJV | 0.74 | ![]() |
COC![]() | COCAINE | A,B,C,D,E | 2PGZ | 0.74 | ![]() |
FDI![]() | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.78 | ![]() |
I03![]() | (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3- ({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE | A | 2IS0 | 0.71 | ![]() |
4DP![]() | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.73 | ![]() |
ICU![]() | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.71 | ![]() |
DMC![]() | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.7 | ![]() |
GF7![]() | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.83 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.72 | ![]() |