Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00369050
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 |
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.74 | |
REN | (S)-reticuline | A | 3FWA | 0.72 | |
REN | (S)-reticuline | A | 3D2D | 0.72 | |
F1M | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin- 4-yl}-2-(4-sulfamoylphenoxy)acetamide | A | 2ZJM | 0.74 | |
GUM | 4-METHYL-UMBELLIFERYL-N-ACETYL- CHITOBIOSE | A | 1BB7 | 0.71 | |
AP1 | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 0.78 | |
CM4 | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.7 | |
5RM | (5R)-5-(4-methoxy-3-propoxyphenyl)- 5-methyl-1,3-oxazolidin-2-one | A,B | 1XM6 | 0.73 | |
F1N | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin- 4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide | A | 2ZJN | 0.73 | |
CX6 | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3- G]PYRROLO[2,1-B][1,3]BENZOXAZIN- 11-ONE | A,B,C,D,E,F | 2AL4 | 0.75 | |
RPF | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.71 | |
32P | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}- 5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE | A | 1TQF | 0.71 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.72 | |
F1I | N-[1-(2,6-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJI | 0.73 | |
429 | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.74 | |
DPD | A,B | 1QIW | 0.73 | ||
DPD | A | 1QIV | 0.73 | ||
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.74 | |
GNT | (-)-GALANTHAMINE | A | 1DX6 | 0.71 | |
GNT | (-)-GALANTHAMINE | A | 1QTI | 0.71 | |
GNT | (-)-GALANTHAMINE | A,B,C,D,E | 2PH9 | 0.71 | |
GNT | (-)-GALANTHAMINE | A,B | 1W76 | 0.71 | |
GNT | (-)-GALANTHAMINE | A | 1W6R | 0.71 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.7 | |
LOC | N-[(7S)-1,2,3,10-tetramethoxy-9- oxo-6,7-dihydro-5H-benzo[d]heptalen- 7-yl]ethanamide | A,B,C,D | 3E22 | 0.73 | |
P14 | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.71 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.71 | |
MUS | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5- (ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO- NON-2-ULOPYRANOSIDONIC ACID | A | 1S0J | 0.71 | |
NHN | A,C | 2GVF | 0.71 | ||
CM3 | (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIN | 0.7 | |
GMN | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N- TRIETHYLETHANAMINIUM] | A,B | 1N5M | 0.7 | |
P12 | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.73 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.72 | |
IMZ | CIS-[4,5-BIS-(4-BROMOPHENYL)-2- (2-ETHOXY-4-METHOXYPHENYL)-4,5- DIHYDROIMIDAZOL-1-YL]-[4-(2-HYDROXYETHYL)PIPERAZIN- 1-YL]METHANONE | A,B,C | 1RV1 | 0.7 | |
AH1 | AHA001 | A | 1AJX | 0.71 | |
CN2 | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 1Z2B | 0.71 | |
CN2 | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 3DU7 | 0.71 | |
CN2 | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,D,F,G | 3EDL | 0.71 | |
CN2 | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 1SA0 | 0.71 |