Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007295

Ligand	Ligand name	Chain	PDB	Tanimoto
HCT	(2R)-butane-1,2,4-tricarboxylic acid	A,B,C	3DP8	0.71
HCT	(2R)-butane-1,2,4-tricarboxylic acid	A,B,C	3E3K	0.71
TRC	TRICARBALLYLIC ACID	A	6ACN	0.79
TRC	TRICARBALLYLIC ACID	A,B	2PW0	0.79
TRC	TRICARBALLYLIC ACID	A	5ACN	0.79
3PA	3-CYCLOPENTYL-PROPIONIC ACID	C	1FAV	0.71
PIV	PIVALIC ACID	B,D,F,H	1SMR	0.72
DTG	DES-AMINO T-BUTYL GLYCINE	A,B,C,D	2WPO	0.79
SHF	LAEVULINIC ACID	A	1YLV	0.77
SHF	LAEVULINIC ACID	A	1H7N	0.77
SLE	2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACID	A,B	1ATL	0.79
SHO	5-HYDROXYLAEVULINIC ACID	A	1W31	0.72
ALQ	2-METHYL-PROPIONIC ACID	C,D	1FKN	0.77
ALQ	2-METHYL-PROPIONIC ACID	C,D	2ZHR	0.77
ALQ	2-METHYL-PROPIONIC ACID	A	1IUP	0.77
ALQ	2-METHYL-PROPIONIC ACID	C,D	1M4H	0.77
ALQ	2-METHYL-PROPIONIC ACID	A	1R6N	0.77
ALQ	2-METHYL-PROPIONIC ACID	E,F,G,H	1XN2	0.77
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	0.83
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	0.83
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	0.83
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	0.83
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	0.83
LNG	12-METHYLTRIDECANOIC ACID	A,B,C,D,E,F,G,H,I,J,K,L	1W3M	0.71
LML	ISOBUTYL MALONIC ACID	A	1BFW	0.81
GUA	GLUTARIC ACID	A,B	1JW0	0.74
GUA	GLUTARIC ACID	A,B,C,D	1B4N	0.74
GUA	GLUTARIC ACID	A	1AMS	0.74
GUA	GLUTARIC ACID	A,B	1XEY	0.74
GUA	GLUTARIC ACID	A	1CZC	0.74
GUA	GLUTARIC ACID	A,B,C	1IYD	0.74
6NA	HEXANOIC ACID	A,B	2IX4	0.79
6NA	HEXANOIC ACID	A,B	2IWZ	0.79
6NA	HEXANOIC ACID	A	2IQ0	0.79
4MV	4-METHYL VALERIC ACID	A,B,C	1I1M	0.94
4MV	4-METHYL VALERIC ACID	A,B,C	2EIY	0.94
4MV	4-METHYL VALERIC ACID	A	2ECO	0.94
4MV	4-METHYL VALERIC ACID	A,C,D	1UMC	0.94
4MV	4-METHYL VALERIC ACID	A,B	2COG	0.94
CCM	1-METHYL-1-CARBOXY-CYCLOPENTANE	A	1THL	0.77
SMB	2-METHYLBUTANOIC ACID	A,B,C	1YA8	0.87
SMB	2-METHYLBUTANOIC ACID	A	1UKA	0.87
1LU	4-METHYL-PENTANOIC ACID-2-OXYL GROUP	E,I	6TMN	0.73
1LU	4-METHYL-PENTANOIC ACID-2-OXYL GROUP	I	1DS2	0.73
IVA	ISOVALERIC ACID	A	1YOO	0.87
IVA	ISOVALERIC ACID	E,I	4ER2	0.87
IVA	ISOVALERIC ACID	E,I	1APU	0.87
IVA	ISOVALERIC ACID	E,I	1APW	0.87
IVA	ISOVALERIC ACID	E,I	1APT	0.87
IVA	ISOVALERIC ACID	A	2D5Y	0.87
IVA	ISOVALERIC ACID	A,I	1GA4	0.87
IVA	ISOVALERIC ACID	E,I	1PPK	0.87
IVA	ISOVALERIC ACID	A,B,C,D	1QS8	0.87
IVA	ISOVALERIC ACID	A,B,C	1NLU	0.87
IVA	ISOVALERIC ACID	A,B	2RMP	0.87
IVA	ISOVALERIC ACID	A,B	1KE1	0.87
IVA	ISOVALERIC ACID	E,I	1PPL	0.87
IVA	ISOVALERIC ACID	A,B,C,D,I,J	1LYB	0.87
IVA	ISOVALERIC ACID	A	2D64	0.87
IVA	ISOVALERIC ACID	I	2ER0	0.87
IVA	ISOVALERIC ACID	I	1QRP	0.87
IVA	ISOVALERIC ACID	E,I	1APV	0.87
IVA	ISOVALERIC ACID	A,B	1KDZ	0.87
IVA	ISOVALERIC ACID	A	1UK9	0.87
IVA	ISOVALERIC ACID	A,I	1WKR	0.87
IVA	ISOVALERIC ACID	A,I	3FNT	0.87
IVA	ISOVALERIC ACID	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	3FV3	0.87
IVA	ISOVALERIC ACID	I	1PSO	0.87
IVA	ISOVALERIC ACID	I	6APR	0.87
IVA	ISOVALERIC ACID	A	2D63	0.87
0PA	cyclopentylacetic acid	A,B	3DWR	0.75
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1KTA	0.77
KIV	3-METHYL-2-OXOBUTANOIC ACID	A	1HJG	0.77
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1SR9	0.77
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B,C,D,E	1O68	0.77
MEV	(R)-MEVALONATE	A,B	1QAY	0.71
MEV	(R)-MEVALONATE	A	2HFU	0.71
MEV	(R)-MEVALONATE	A,B	1R31	0.71
MAH	3-HYDROXY-3-METHYL-GLUTARIC ACID	A,B,C,D	1DQA	0.75
MAH	3-HYDROXY-3-METHYL-GLUTARIC ACID	A,B,C,D	1DQ8	0.75
BUA	BUTANOIC ACID	A	2CZ0	0.77
BUA	BUTANOIC ACID	A	1P0I	0.77
BUA	BUTANOIC ACID	A,B	2HA7	0.77
BUA	BUTANOIC ACID	A	1UK7	0.77
BUA	BUTANOIC ACID	A	2J4C	0.77
BUA	BUTANOIC ACID	A	1ZRM	0.77
BUA	BUTANOIC ACID	A	3DLT	0.77
BUA	BUTANOIC ACID	A	1UGP	0.77
BUA	BUTANOIC ACID	A,B	2CZ1	0.77
SHV	HEPTANOIC ACID	A	1PO8	0.73
2PP	2-PROPYL-PENTANOIC ACID	P	1DIT	0.86
LEA	LEVULINIC ACID	P	1VWR	0.87
LEA	LEVULINIC ACID	M,P	1VWJ	0.87
LEA	LEVULINIC ACID	A,B	1W1Z	0.87
LEA	LEVULINIC ACID	A,B	1B4K	0.87
LEA	LEVULINIC ACID	M,P	1VWK	0.87
LEA	LEVULINIC ACID	P	1VWQ	0.87
LEA	LEVULINIC ACID	A	1UK8	0.87
LEA	LEVULINIC ACID	M,P	1VWL	0.87
LEA	LEVULINIC ACID	M,P	1VWI	0.87
LEA	LEVULINIC ACID	A	1B4E	0.87