Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201494
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 |
SP5 | N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide | A,B | 3CND | 0.7 |  |
4PN | 4-PIPERIDINO-PIPERIDINE | A | 1K4Y | 0.73 | |
P24 | 1-(AMINOETHYL)AMINO-4-AMINOBUTANE | B | 1O9M | 0.76 | |
| P24 | 1-(AMINOETHYL)AMINO-4-AMINOBUTANE | A,B | 292D | 0.76 | |
SPM | SPERMINE | A,B | 1RH0 | 0.9 | |
| SPM | SPERMINE | A | 1ICK | 0.9 | |
| SPM | SPERMINE | A,B,D | 198D | 0.9 | |
| SPM | SPERMINE | A,B | 1RGT | 0.9 | |
| SPM | SPERMINE | A,B | 1Y84 | 0.9 | |
| SPM | SPERMINE | A | 2O3Y | 0.9 | |
| SPM | SPERMINE | A | 100D | 0.9 | |
| SPM | SPERMINE | A,B,C,D | 3EUI | 0.9 | |
| SPM | SPERMINE | A,B | 1FQ2 | 0.9 | |
| SPM | SPERMINE | B | 320D | 0.9 | |
| SPM | SPERMINE | A,B,C,D | 1XPQ | 0.9 | |
| SPM | SPERMINE | A,B,C,D,E,F | 2C12 | 0.9 | |
| SPM | SPERMINE | A | 1M69 | 0.9 | |
| SPM | SPERMINE | A | 1WOE | 0.9 | |
| SPM | SPERMINE | A,B | 1DCR | 0.9 | |
| SPM | SPERMINE | A,B | 323D | 0.9 | |
| SPM | SPERMINE | A,B | 326D | 0.9 | |
| SPM | SPERMINE | A | 1D12 | 0.9 | |
| SPM | SPERMINE | A | 211D | 0.9 | |
| SPM | SPERMINE | A,B | 355D | 0.9 | |
| SPM | SPERMINE | A,B | 1XPF | 0.9 | |
| SPM | SPERMINE | A,B | 1I1P | 0.9 | |
| SPM | SPERMINE | A | 1DNS | 0.9 | |
| SPM | SPERMINE | A,B | 2B2B | 0.9 | |
| SPM | SPERMINE | A,B | 1RG1 | 0.9 | |
| SPM | SPERMINE | A,B,C,D | 258D | 0.9 | |
| SPM | SPERMINE | A,B | 1RFF | 0.9 | |
| SPM | SPERMINE | A,B | 1EI4 | 0.9 | |
| SPM | SPERMINE | B,D | 1F6C | 0.9 | |
| SPM | SPERMINE | A,B | 1Y8L | 0.9 | |
| SPM | SPERMINE | A,B | 1FUF | 0.9 | |
| SPM | SPERMINE | A,B | 2F8W | 0.9 | |
| SPM | SPERMINE | A,B | 131D | 0.9 | |
| SPM | SPERMINE | A,B,C,D,E,F, G,H | 1N7A | 0.9 | |
| SPM | SPERMINE | A | 1Z7I | 0.9 | |
| SPM | SPERMINE | A,B | 2RF3 | 0.9 | |
| SPM | SPERMINE | A,B | 324D | 0.9 | |
| SPM | SPERMINE | A,B | 1DPL | 0.9 | |
| SPM | SPERMINE | A,B | 1PWF | 0.9 | |
| SPM | SPERMINE | B | 2PL8 | 0.9 | |
| SPM | SPERMINE | A,B,C,D | 3BJ8 | 0.9 | |
| SPM | SPERMINE | A | 248D | 0.9 | |
| SPM | SPERMINE | A,B | 1RFI | 0.9 | |
| SPM | SPERMINE | A,B | 2B8J | 0.9 | |
| SPM | SPERMINE | A | 1D10 | 0.9 | |
| SPM | SPERMINE | A,B | 1RGU | 0.9 | |
| SPM | SPERMINE | A,B | 428D | 0.9 | |
| SPM | SPERMINE | A | 1D48 | 0.9 | |
| SPM | SPERMINE | A | 1I0T | 0.9 | |
| SPM | SPERMINE | D | 1I2Y | 0.9 | |
| SPM | SPERMINE | A,B | 1RG2 | 0.9 | |
| SPM | SPERMINE | A,B | 1YB9 | 0.9 | |
| SPM | SPERMINE | A | 2TRA | 0.9 | |
| SPM | SPERMINE | A,B | 1VRO | 0.9 | |
| SPM | SPERMINE | A | 206D | 0.9 | |
| SPM | SPERMINE | B | 1OFX | 0.9 | |
| SPM | SPERMINE | A | 210D | 0.9 | |
| SPM | SPERMINE | A | 2GWA | 0.9 | |
| SPM | SPERMINE | A | 321D | 0.9 | |
| SPM | SPERMINE | A,B | 1S2R | 0.9 | |
| SPM | SPERMINE | A,B | 2DCG | 0.9 | |
| SPM | SPERMINE | A,B | 2GUN | 0.9 | |
| SPM | SPERMINE | B | 2PLB | 0.9 | |
| SPM | SPERMINE | A,B | 1EDR | 0.9 | |
| SPM | SPERMINE | A,B,C,D | 1J8G | 0.9 | |
| SPM | SPERMINE | A,B,C,D,E,F, G,H | 1N7B | 0.9 | |
| SPM | SPERMINE | A,B | 1Z5T | 0.9 | |
| SPM | SPERMINE | A | 1TN2 | 0.9 | |
| SPM | SPERMINE | A | 2D47 | 0.9 | |
| SPM | SPERMINE | A | 1EVV | 0.9 | |
| SPM | SPERMINE | A,B | 1XL6 | 0.9 | |
| SPM | SPERMINE | A,B | 410D | 0.9 | |
| SPM | SPERMINE | A | 1D15 | 0.9 | |
| SPM | SPERMINE | A,B,C | 3B7P | 0.9 | |
| SPM | SPERMINE | A,B,C,D | 3C6M | 0.9 | |
SPW | N,N'-BIS(3-AMMONIOPROPYL)BUTANE- 1,4-DIAMINIUM | A | 1V9G | 0.9 | |
MD2 | N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE- DIAMINE | A,B,C | 1B5Q | 0.72 | |
A71 | (6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEX | A,B | 2DYW | 0.77 | |
SPJ | (3R,3'R)-N~1~,N~1~'-butane-1,4- diyldibutane-1,3-diamine | A,B | 3BNM | 0.82 | |
PAW | N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE- 1,2-DIAMINE | A,B | 2IE1 | 0.73 | |
PIP | PIPERIDINE | H | 1ETS | 0.74 | |
| PIP | PIPERIDINE | H | 1ETT | 0.74 | |
| PIP | PIPERIDINE | E,I | 1PPC | 0.74 | |
| PIP | PIPERIDINE | I | 1QUR | 0.74 | |
| PIP | PIPERIDINE | E | 1PPH | 0.74 | |
DIP | DIPENTYLAMINE | C,D | 1A1B | 0.84 | |
| DIP | DIPENTYLAMINE | C,D | 1A07 | 0.84 | |
| DIP | DIPENTYLAMINE | C,D | 1A1A | 0.84 | |
| DIP | DIPENTYLAMINE | C,D | 1A08 | 0.84 | |
| DIP | DIPENTYLAMINE | C,D | 1A09 | 0.84 | |
B33 | N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE- 1,3-DIAMINE | A,B | 2B4B | 0.81 | |
SPD | SPERMIDINE | 1,2,3,4 | 1POY | 0.84 | |
| SPD | SPERMIDINE | A,B | 3BXZ | 0.84 | |
| SPD | SPERMIDINE | A | 2ELG | 0.84 | |
| SPD | SPERMIDINE | A,B,C | 2PWP | 0.84 | |
| SPD | SPERMIDINE | A,B | 1BO4 | 0.84 | |
| SPD | SPERMIDINE | A,B,C,D | 3C6K | 0.84 | |
| SPD | SPERMIDINE | A,B | 2O07 | 0.84 | |
| SPD | SPERMIDINE | A | 2P1E | 0.84 | |
| SPD | SPERMIDINE | A,B | 293D | 0.84 | |
| SPD | SPERMIDINE | A,B | 1TYP | 0.84 | |
| SPD | SPERMIDINE | A,B,C,D | 2QBY | 0.84 | |
| SPD | SPERMIDINE | A,B | 3CN8 | 0.84 | |
| SPD | SPERMIDINE | A | 1U8D | 0.84 | |
| SPD | SPERMIDINE | A | 2P18 | 0.84 | |
| SPD | SPERMIDINE | A,B | 2HMP | 0.84 | |
| SPD | SPERMIDINE | D | 1I2X | 0.84 | |
| SPD | SPERMIDINE | A | 1POT | 0.84 | |
TER | N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)- 1,4-DIAMINOBUTANE | A,B | 336D | 0.9 | |
GC7 | 1-GUANIDINIUM-7-AMINOHEPTANE | A,B | 1RQD | 0.83 | |
A72 | TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEX | A,B | 2DYW | 0.76 | |
16D | HEXANE-1,6-DIAMINE | A,B,C | 2QK9 | 0.74 | |
| 16D | HEXANE-1,6-DIAMINE | A,B,C,D,E,F | 1WOG | 0.74 | |
DIA | OCTANE 1,8-DIAMINE | A,B | 3BI5 | 0.73 | |
| DIA | OCTANE 1,8-DIAMINE | A,B,C | 1H83 | 0.73 | |
AG3 | 1-{4-[(3-aminopropyl)amino]butyl}guanidine | A,C,E | 2ZSU | 0.72 | |
| AG3 | 1-{4-[(3-aminopropyl)amino]butyl}guanidine | A,B,C,D | 2E5W | 0.72 | |
297 | dodecane-1,12-diamine | A,B | 3BI2 | 0.73 | |
DRE | N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE | A,B | 1Z6L | 0.94 | |
SPZ | (3S,3'S)-N~1~,N~1~'-butane-1,4- diyldibutane-1,3-diamine | A,B | 3BNU | 0.82 | |
SPE | THERMINE | A,B | 319D | 0.87 | |
SPK | SPERMINE (FULLY PROTONATED FORM) | A,B | 1SE6 | 0.9 | |
| SPK | SPERMINE (FULLY PROTONATED FORM) | B | 1MG9 | 0.9 | |
| SPK | SPERMINE (FULLY PROTONATED FORM) | A | 1Y0Q | 0.9 | |
| SPK | SPERMINE (FULLY PROTONATED FORM) | A,B | 1KGK | 0.9 | |
N3D | N-methylpropane-1,3-diamine | A,B | 3EY2 | 0.72 | |