Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00612264
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 |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.75 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.73 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.7 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.72 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.71 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.71 | |
5FH | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.72 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.71 | |
182 | 1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLSELANYL)PYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D,E,F | 1U1E | 0.74 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
BAU | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D,E,F | 1U1C | 0.78 | |
BAU | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D | 3EUF | 0.78 | |
CPU | A,B | 1CR6 | 0.72 | ||
MKC | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT1 | 0.79 | |
TFK | 3-[[(METHYLAMINO)SULFONYL]AMINO]- 2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO- 1-(1-METHYLETHYL)-2-OXOPHENYL]- 1(2H)-PYRIDINE ACETAMIDE | A | 1EAS | 0.72 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.74 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.73 | |
V15 | 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN- 4(3H)-ONE | A | 2V00 | 0.72 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.71 | |
GCA | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL- 5-ISOPROPYLURACIL | A | 1C1B | 0.77 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.72 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.71 |