Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00309019
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 |
A55 | N-[2-(4-AMINO-5,8-DIFLUORO-1,2- DIHYDROQUINAZOLIN-2-YL)ETHYL]-3- FURAMIDE | A,B | 3E6O | 0.71 | |
3MR | (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN- 3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE | A | 2Q15 | 0.74 | |
HDF | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)- 5-DEAZAISOALLOXAZINE | A | 1QNF | 0.73 | |
HDF | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)- 5-DEAZAISOALLOXAZINE | A,B,C,D,I,K | 1TEZ | 0.73 | |
HDF | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)- 5-DEAZAISOALLOXAZINE | A | 2J07 | 0.73 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.76 | |
012 | (4S)-N-[(1S,2R)-1-benzyl-3-{[3- (dimethylamino)benzyl]amino}-2- hydroxypropyl]-1-(3-methoxybenzyl)- 2-oxoimidazolidine-4-carboxamide | A,B,C | 3CKP | 0.79 | |
FLG | FLUORESCEINYLTHIOUREIDO | A,B | 1OCB | 0.71 | |
FO1 | 1-deoxy-1-(8-hydroxy-2,4-dioxo- 3,4-dihydropyrimido[4,5-b]quinolin- 10(2H)-yl)-D-ribitol | A,B,C,D | 3C3D | 0.73 | |
FO1 | 1-deoxy-1-(8-hydroxy-2,4-dioxo- 3,4-dihydropyrimido[4,5-b]quinolin- 10(2H)-yl)-D-ribitol | A,B,C,D | 3C3E | 0.73 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.75 | |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.73 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.77 | |
GWB | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO- 3-ISOPROPYLQUINOLIN-2(1H)-ONE | A | 1TKX | 0.72 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.71 | |
4BU | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.71 | |
331 | (2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]- 1-HEPTYLUREIDO)ETHYL]PHENOXY)-2- METHYLBUTYRIC ACID | A,B | 1Y0S | 0.72 | |
BC6 | (4E,8S,9R,10E,12S,13R,14S,16R)- 13,20-dihydroxy-14-methoxy-4,8,10,12,16- pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa- 1(22),4,10,18,20-pentaen-9-yl carbamate | A,B,C,D | 2VW5 | 0.71 | |
BSD | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 5-[methyl(methylsulfonyl)amino]- N'-[(1R)-1-phenylethyl]benzene- 1,3-dicarboxamide | A,B,C,D | 2VKM | 0.72 | |
GP8 | 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA | A | 1BJV | 0.7 | |
GNQ | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HHN | 0.72 | |
GNQ | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HH5 | 0.72 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.73 |