Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02330345
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 |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.7 |  |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.7 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.73 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.7 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.74 | |
CBE | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.71 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.74 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.74 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.74 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.74 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.71 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.73 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.73 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.74 | |
A51 | (3E)-3-[(phenylamino)methylidene]dihydrofuran- 2(3H)-one | A | 2QFO | 0.72 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.76 | |
| IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.76 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.8 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.8 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.8 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.8 | |
G3E | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.73 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.75 | |
| TSN | TRICHOSTATIN A | A,B | 1C3R | 0.75 | |
| TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.75 | |
| TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.75 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1TV5 | 0.71 | |
| A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1D3H | 0.71 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.7 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.7 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.7 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.72 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.75 | |
ISN | ISATIN | A,B | 1OJA | 0.71 | |
| ISN | ISATIN | A,B | 2BK5 | 0.71 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.81 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.71 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.7 | |