Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010625

Ligand	Ligand name	Chain	PDB	Tanimoto
PIP	PIPERIDINE	H	1ETS	0.72
PIP	PIPERIDINE	H	1ETT	0.72
PIP	PIPERIDINE	E,I	1PPC	0.72
PIP	PIPERIDINE	I	1QUR	0.72
PIP	PIPERIDINE	E	1PPH	0.72
SPM	SPERMINE	A,B	1RH0	0.83
SPM	SPERMINE	A	1ICK	0.83
SPM	SPERMINE	A,B,D	198D	0.83
SPM	SPERMINE	A,B	1RGT	0.83
SPM	SPERMINE	A,B	1Y84	0.83
SPM	SPERMINE	A	2O3Y	0.83
SPM	SPERMINE	A	100D	0.83
SPM	SPERMINE	A,B,C,D	3EUI	0.83
SPM	SPERMINE	A,B	1FQ2	0.83
SPM	SPERMINE	B	320D	0.83
SPM	SPERMINE	A,B,C,D	1XPQ	0.83
SPM	SPERMINE	A,B,C,D,E,F	2C12	0.83
SPM	SPERMINE	A	1M69	0.83
SPM	SPERMINE	A	1WOE	0.83
SPM	SPERMINE	A,B	1DCR	0.83
SPM	SPERMINE	A,B	323D	0.83
SPM	SPERMINE	A,B	326D	0.83
SPM	SPERMINE	A	1D12	0.83
SPM	SPERMINE	A	211D	0.83
SPM	SPERMINE	A,B	355D	0.83
SPM	SPERMINE	A,B	1XPF	0.83
SPM	SPERMINE	A,B	1I1P	0.83
SPM	SPERMINE	A	1DNS	0.83
SPM	SPERMINE	A,B	2B2B	0.83
SPM	SPERMINE	A,B	1RG1	0.83
SPM	SPERMINE	A,B,C,D	258D	0.83
SPM	SPERMINE	A,B	1RFF	0.83
SPM	SPERMINE	A,B	1EI4	0.83
SPM	SPERMINE	B,D	1F6C	0.83
SPM	SPERMINE	A,B	1Y8L	0.83
SPM	SPERMINE	A,B	1FUF	0.83
SPM	SPERMINE	A,B	2F8W	0.83
SPM	SPERMINE	A,B	131D	0.83
SPM	SPERMINE	A,B,C,D,E,F,G,H	1N7A	0.83
SPM	SPERMINE	A	1Z7I	0.83
SPM	SPERMINE	A,B	2RF3	0.83
SPM	SPERMINE	A,B	324D	0.83
SPM	SPERMINE	A,B	1DPL	0.83
SPM	SPERMINE	A,B	1PWF	0.83
SPM	SPERMINE	B	2PL8	0.83
SPM	SPERMINE	A,B,C,D	3BJ8	0.83
SPM	SPERMINE	A	248D	0.83
SPM	SPERMINE	A,B	1RFI	0.83
SPM	SPERMINE	A,B	2B8J	0.83
SPM	SPERMINE	A	1D10	0.83
SPM	SPERMINE	A,B	1RGU	0.83
SPM	SPERMINE	A,B	428D	0.83
SPM	SPERMINE	A	1D48	0.83
SPM	SPERMINE	A	1I0T	0.83
SPM	SPERMINE	D	1I2Y	0.83
SPM	SPERMINE	A,B	1RG2	0.83
SPM	SPERMINE	A,B	1YB9	0.83
SPM	SPERMINE	A	2TRA	0.83
SPM	SPERMINE	A,B	1VRO	0.83
SPM	SPERMINE	A	206D	0.83
SPM	SPERMINE	B	1OFX	0.83
SPM	SPERMINE	A	210D	0.83
SPM	SPERMINE	A	2GWA	0.83
SPM	SPERMINE	A	321D	0.83
SPM	SPERMINE	A,B	1S2R	0.83
SPM	SPERMINE	A,B	2DCG	0.83
SPM	SPERMINE	A,B	2GUN	0.83
SPM	SPERMINE	B	2PLB	0.83
SPM	SPERMINE	A,B	1EDR	0.83
SPM	SPERMINE	A,B,C,D	1J8G	0.83
SPM	SPERMINE	A,B,C,D,E,F,G,H	1N7B	0.83
SPM	SPERMINE	A,B	1Z5T	0.83
SPM	SPERMINE	A	1TN2	0.83
SPM	SPERMINE	A	2D47	0.83
SPM	SPERMINE	A	1EVV	0.83
SPM	SPERMINE	A,B	1XL6	0.83
SPM	SPERMINE	A,B	410D	0.83
SPM	SPERMINE	A	1D15	0.83
SPM	SPERMINE	A,B,C	3B7P	0.83
SPM	SPERMINE	A,B,C,D	3C6M	0.83
SPW	N,N'-BIS(3-AMMONIOPROPYL)BUTANE-1,4-DIAMINIUM	A	1V9G	0.83
P24	1-(AMINOETHYL)AMINO-4-AMINOBUTANE	B	1O9M	0.8
P24	1-(AMINOETHYL)AMINO-4-AMINOBUTANE	A,B	292D	0.8
N3D	N-methylpropane-1,3-diamine	A,B	3EY2	0.76
TER	N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE	A,B	336D	0.83
SPJ	(3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine	A,B	3BNM	0.81
TEA	TRIETHYLAMMONIUM ION	A	1BD1	0.85
SPE	THERMINE	A,B	319D	0.8
TBA	TETRABUTYLAMMONIUM ION	I,L	2BOB	0.76
TBA	TETRABUTYLAMMONIUM ION	A,C	2DWD	0.76
TBA	TETRABUTYLAMMONIUM ION	A,C	2HVJ	0.76
TBA	TETRABUTYLAMMONIUM ION	C	2DWE	0.76
TBA	TETRABUTYLAMMONIUM ION	A,B	1J95	0.76
TBA	TETRABUTYLAMMONIUM ION	A,C	2HVK	0.76
TBA	TETRABUTYLAMMONIUM ION	A	1JVM	0.76
TBA	TETRABUTYLAMMONIUM ION	C	2HJF	0.76
PAW	N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-1,2-DIAMINE	A,B	2IE1	0.71
DRE	N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE	A,B	1Z6L	0.81
LYT	BUTYLAMINE	A	1EAG	0.7
SPZ	(3S,3'S)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine	A,B	3BNU	0.81
MD2	N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE	A,B,C	1B5Q	0.76
DIB	3-AMINO-(DIMETHYLPROPYLAMINE)	A,D,E,G,I,J	1S32	0.76
DIB	3-AMINO-(DIMETHYLPROPYLAMINE)	E,I,J	1M1A	0.76
DIB	3-AMINO-(DIMETHYLPROPYLAMINE)	D,I,J	1M18	0.76
DIB	3-AMINO-(DIMETHYLPROPYLAMINE)	E,I,J	1M19	0.76
SPD	SPERMIDINE	1,2,3,4	1POY	0.83
SPD	SPERMIDINE	A,B	3BXZ	0.83
SPD	SPERMIDINE	A	2ELG	0.83
SPD	SPERMIDINE	A,B,C	2PWP	0.83
SPD	SPERMIDINE	A,B	1BO4	0.83
SPD	SPERMIDINE	A,B,C,D	3C6K	0.83
SPD	SPERMIDINE	A,B	2O07	0.83
SPD	SPERMIDINE	A	2P1E	0.83
SPD	SPERMIDINE	A,B	293D	0.83
SPD	SPERMIDINE	A,B	1TYP	0.83
SPD	SPERMIDINE	A,B,C,D	2QBY	0.83
SPD	SPERMIDINE	A,B	3CN8	0.83
SPD	SPERMIDINE	A	1U8D	0.83
SPD	SPERMIDINE	A	2P18	0.83
SPD	SPERMIDINE	A,B	2HMP	0.83
SPD	SPERMIDINE	D	1I2X	0.83
SPD	SPERMIDINE	A	1POT	0.83
B33	N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE	A,B	2B4B	0.86
ETN	METHYLETHYLAMINE	A	1TES	0.7
DIP	DIPENTYLAMINE	C,D	1A1B	0.9
DIP	DIPENTYLAMINE	C,D	1A07	0.9
DIP	DIPENTYLAMINE	C,D	1A1A	0.9
DIP	DIPENTYLAMINE	C,D	1A08	0.9
DIP	DIPENTYLAMINE	C,D	1A09	0.9
NET	TETRAETHYLAMMONIUM ION	A,B,C,D,E,F,G,H	1CE8	0.7
NET	TETRAETHYLAMMONIUM ION	B,C,E,F,H,I,K,L	1JDB	0.7
NET	TETRAETHYLAMMONIUM ION	A,B,C,D,E,G,H	1BXR	0.7
NET	TETRAETHYLAMMONIUM ION	A,B,C,D,E,F,G,H	1KEE	0.7
NET	TETRAETHYLAMMONIUM ION	A,B,C,D,E,F,G,H	1C30	0.7
NET	TETRAETHYLAMMONIUM ION	A,B,C,D,E,F,G,H	1T36	0.7
NET	TETRAETHYLAMMONIUM ION	A,B,C,D,E,F,G,H	1C3O	0.7
NET	TETRAETHYLAMMONIUM ION	A,B,C,D,E,F,G,H	1A9X	0.7
NET	TETRAETHYLAMMONIUM ION	A,B,C,D,E,F,G,H	1CS0	0.7
NET	TETRAETHYLAMMONIUM ION	A,B,C,D,E,F,G,H	1M6V	0.7
SPK	SPERMINE (FULLY PROTONATED FORM)	A,B	1SE6	0.83
SPK	SPERMINE (FULLY PROTONATED FORM)	B	1MG9	0.83
SPK	SPERMINE (FULLY PROTONATED FORM)	A	1Y0Q	0.83
SPK	SPERMINE (FULLY PROTONATED FORM)	A,B	1KGK	0.83