Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03483234
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 |
MR1 | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.74 | |
TL1 | 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y59 | 0.88 | |
BGF | 2,5-BIS(4-GUANYLPHENYL)FURAN | A | 227D | 0.74 | |
P14 | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.73 | |
TL4 | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5U | 0.9 | |
DID | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.91 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.7 | |
GP8 | 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA | A | 1BJV | 0.71 | |
PET | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA- PENTANE | B | 166D | 0.92 | |
623 | 3,3'-[3,5-DIFLUORO-4-METHYL-2,6- PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE) | A | 1QB6 | 0.72 | |
BPF | 2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURAN | A,B | 360D | 0.71 | |
SAG | (S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE] | A,B | 2V5Z | 0.71 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.72 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.73 | |
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.76 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.72 | |
DPD | A,B | 1QIW | 0.75 | ||
DPD | A | 1QIV | 0.75 | ||
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.72 | |
TL2 | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5A | 0.9 | |
TL3 | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5B | 0.88 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR4 | 0.92 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | B | 1D64 | 0.92 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR5 | 0.92 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | A,B,D,E | 1RKW | 0.92 | |
P12 | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.73 | |
771 | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO- 5-METHOXY-BENZYLAMINO)-BENZAMIDINE | H,L | 1W0Y | 0.74 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.9 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.9 |