Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03171284
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 |
SPE | THERMINE | A,B | 319D | 0.73 | |
DIY | 5-BUTYLPIPERIDINE | C,D | 1A1E | 0.77 | |
GZZ | N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE | A,B,C | 1H82 | 0.71 | |
TER | N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)- 1,4-DIAMINOBUTANE | A,B | 336D | 0.76 | |
SPM | SPERMINE | A,B | 1RH0 | 0.76 | |
SPM | SPERMINE | A | 1ICK | 0.76 | |
SPM | SPERMINE | A,B,D | 198D | 0.76 | |
SPM | SPERMINE | A,B | 1RGT | 0.76 | |
SPM | SPERMINE | A,B | 1Y84 | 0.76 | |
SPM | SPERMINE | A | 2O3Y | 0.76 | |
SPM | SPERMINE | A | 100D | 0.76 | |
SPM | SPERMINE | A,B,C,D | 3EUI | 0.76 | |
SPM | SPERMINE | A,B | 1FQ2 | 0.76 | |
SPM | SPERMINE | B | 320D | 0.76 | |
SPM | SPERMINE | A,B,C,D | 1XPQ | 0.76 | |
SPM | SPERMINE | A,B,C,D,E,F | 2C12 | 0.76 | |
SPM | SPERMINE | A | 1M69 | 0.76 | |
SPM | SPERMINE | A | 1WOE | 0.76 | |
SPM | SPERMINE | A,B | 1DCR | 0.76 | |
SPM | SPERMINE | A,B | 323D | 0.76 | |
SPM | SPERMINE | A,B | 326D | 0.76 | |
SPM | SPERMINE | A | 1D12 | 0.76 | |
SPM | SPERMINE | A | 211D | 0.76 | |
SPM | SPERMINE | A,B | 355D | 0.76 | |
SPM | SPERMINE | A,B | 1XPF | 0.76 | |
SPM | SPERMINE | A,B | 1I1P | 0.76 | |
SPM | SPERMINE | A | 1DNS | 0.76 | |
SPM | SPERMINE | A,B | 2B2B | 0.76 | |
SPM | SPERMINE | A,B | 1RG1 | 0.76 | |
SPM | SPERMINE | A,B,C,D | 258D | 0.76 | |
SPM | SPERMINE | A,B | 1RFF | 0.76 | |
SPM | SPERMINE | A,B | 1EI4 | 0.76 | |
SPM | SPERMINE | B,D | 1F6C | 0.76 | |
SPM | SPERMINE | A,B | 1Y8L | 0.76 | |
SPM | SPERMINE | A,B | 1FUF | 0.76 | |
SPM | SPERMINE | A,B | 2F8W | 0.76 | |
SPM | SPERMINE | A,B | 131D | 0.76 | |
SPM | SPERMINE | A,B,C,D,E,F, G,H | 1N7A | 0.76 | |
SPM | SPERMINE | A | 1Z7I | 0.76 | |
SPM | SPERMINE | A,B | 2RF3 | 0.76 | |
SPM | SPERMINE | A,B | 324D | 0.76 | |
SPM | SPERMINE | A,B | 1DPL | 0.76 | |
SPM | SPERMINE | A,B | 1PWF | 0.76 | |
SPM | SPERMINE | B | 2PL8 | 0.76 | |
SPM | SPERMINE | A,B,C,D | 3BJ8 | 0.76 | |
SPM | SPERMINE | A | 248D | 0.76 | |
SPM | SPERMINE | A,B | 1RFI | 0.76 | |
SPM | SPERMINE | A,B | 2B8J | 0.76 | |
SPM | SPERMINE | A | 1D10 | 0.76 | |
SPM | SPERMINE | A,B | 1RGU | 0.76 | |
SPM | SPERMINE | A,B | 428D | 0.76 | |
SPM | SPERMINE | A | 1D48 | 0.76 | |
SPM | SPERMINE | A | 1I0T | 0.76 | |
SPM | SPERMINE | D | 1I2Y | 0.76 | |
SPM | SPERMINE | A,B | 1RG2 | 0.76 | |
SPM | SPERMINE | A,B | 1YB9 | 0.76 | |
SPM | SPERMINE | A | 2TRA | 0.76 | |
SPM | SPERMINE | A,B | 1VRO | 0.76 | |
SPM | SPERMINE | A | 206D | 0.76 | |
SPM | SPERMINE | B | 1OFX | 0.76 | |
SPM | SPERMINE | A | 210D | 0.76 | |
SPM | SPERMINE | A | 2GWA | 0.76 | |
SPM | SPERMINE | A | 321D | 0.76 | |
SPM | SPERMINE | A,B | 1S2R | 0.76 | |
SPM | SPERMINE | A,B | 2DCG | 0.76 | |
SPM | SPERMINE | A,B | 2GUN | 0.76 | |
SPM | SPERMINE | B | 2PLB | 0.76 | |
SPM | SPERMINE | A,B | 1EDR | 0.76 | |
SPM | SPERMINE | A,B,C,D | 1J8G | 0.76 | |
SPM | SPERMINE | A,B,C,D,E,F, G,H | 1N7B | 0.76 | |
SPM | SPERMINE | A,B | 1Z5T | 0.76 | |
SPM | SPERMINE | A | 1TN2 | 0.76 | |
SPM | SPERMINE | A | 2D47 | 0.76 | |
SPM | SPERMINE | A | 1EVV | 0.76 | |
SPM | SPERMINE | A,B | 1XL6 | 0.76 | |
SPM | SPERMINE | A,B | 410D | 0.76 | |
SPM | SPERMINE | A | 1D15 | 0.76 | |
SPM | SPERMINE | A,B,C | 3B7P | 0.76 | |
SPM | SPERMINE | A,B,C,D | 3C6M | 0.76 | |
SPW | N,N'-BIS(3-AMMONIOPROPYL)BUTANE- 1,4-DIAMINIUM | A | 1V9G | 0.76 | |
HPL | HEPTYLFORMAMIDE | A,B | 1U3V | 0.74 | |
GC7 | 1-GUANIDINIUM-7-AMINOHEPTANE | A,B | 1RQD | 0.8 | |
DIA | OCTANE 1,8-DIAMINE | A,B | 3BI5 | 0.81 | |
DIA | OCTANE 1,8-DIAMINE | A,B,C | 1H83 | 0.81 | |
SPD | SPERMIDINE | 1,2,3,4 | 1POY | 0.75 | |
SPD | SPERMIDINE | A,B | 3BXZ | 0.75 | |
SPD | SPERMIDINE | A | 2ELG | 0.75 | |
SPD | SPERMIDINE | A,B,C | 2PWP | 0.75 | |
SPD | SPERMIDINE | A,B | 1BO4 | 0.75 | |
SPD | SPERMIDINE | A,B,C,D | 3C6K | 0.75 | |
SPD | SPERMIDINE | A,B | 2O07 | 0.75 | |
SPD | SPERMIDINE | A | 2P1E | 0.75 | |
SPD | SPERMIDINE | A,B | 293D | 0.75 | |
SPD | SPERMIDINE | A,B | 1TYP | 0.75 | |
SPD | SPERMIDINE | A,B,C,D | 2QBY | 0.75 | |
SPD | SPERMIDINE | A,B | 3CN8 | 0.75 | |
SPD | SPERMIDINE | A | 1U8D | 0.75 | |
SPD | SPERMIDINE | A | 2P18 | 0.75 | |
SPD | SPERMIDINE | A,B | 2HMP | 0.75 | |
SPD | SPERMIDINE | D | 1I2X | 0.75 | |
SPD | SPERMIDINE | A | 1POT | 0.75 | |
297 | dodecane-1,12-diamine | A,B | 3BI2 | 0.81 | |
16D | HEXANE-1,6-DIAMINE | A,B,C | 2QK9 | 0.71 | |
16D | HEXANE-1,6-DIAMINE | A,B,C,D,E,F | 1WOG | 0.71 | |
B33 | N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE- 1,3-DIAMINE | A,B | 2B4B | 0.73 | |
SPK | SPERMINE (FULLY PROTONATED FORM) | A,B | 1SE6 | 0.76 | |
SPK | SPERMINE (FULLY PROTONATED FORM) | B | 1MG9 | 0.76 | |
SPK | SPERMINE (FULLY PROTONATED FORM) | A | 1Y0Q | 0.76 | |
SPK | SPERMINE (FULLY PROTONATED FORM) | A,B | 1KGK | 0.76 | |
DIP | DIPENTYLAMINE | C,D | 1A1B | 0.87 | |
DIP | DIPENTYLAMINE | C,D | 1A07 | 0.87 | |
DIP | DIPENTYLAMINE | C,D | 1A1A | 0.87 | |
DIP | DIPENTYLAMINE | C,D | 1A08 | 0.87 | |
DIP | DIPENTYLAMINE | C,D | 1A09 | 0.87 | |
10A | DIDECYL-DIMETHYL-AMMONIUM | A,B,C,D | 1KPH | 0.74 | |
10A | DIDECYL-DIMETHYL-AMMONIUM | A | 1KPI | 0.74 | |
FXY | 1-METHYLHEPTYLFORMAMIDE | A,B | 1U3W | 0.73 | |
PIP | PIPERIDINE | H | 1ETS | 0.76 | |
PIP | PIPERIDINE | H | 1ETT | 0.76 | |
PIP | PIPERIDINE | E,I | 1PPC | 0.76 | |
PIP | PIPERIDINE | I | 1QUR | 0.76 | |
PIP | PIPERIDINE | E | 1PPH | 0.76 | |
P24 | 1-(AMINOETHYL)AMINO-4-AMINOBUTANE | B | 1O9M | 0.73 | |
P24 | 1-(AMINOETHYL)AMINO-4-AMINOBUTANE | A,B | 292D | 0.73 | |
16A | CETYL-TRIMETHYL-AMMONIUM | A | 3HF0 | 0.71 | |
16A | CETYL-TRIMETHYL-AMMONIUM | A,B,C,D | 1KPG | 0.71 | |
16A | CETYL-TRIMETHYL-AMMONIUM | A | 1TPY | 0.71 | |
2EP | 2-ETHYLPIPERIDINE | H,I | 1A4W | 0.75 | |
DRE | N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE | A,B | 1Z6L | 0.9 | |
CAT | DODECANE-TRIMETHYLAMINE | A,B | 2SHP | 0.73 | |
NMH | (R)-N-(1-METHYL-HEXYL)-FORMAMIDE | A,B,C,D | 1P1R | 0.7 | |
DIX | METHYL(CYCLOPENTYL-PROPYL)AMINE | C,D | 1A1C | 0.76 |