Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021034

Ligand	Ligand name	Chain	PDB	Tanimoto
KPL	KETOPANTOATE	A,B,C,D,E,F,G,H,I,J	1M3U	0.7
PIV	PIVALIC ACID	B,D,F,H	1SMR	0.86
MSU	SUCCINIC ACID MONOMETHYL ESTER	A,B,I,J	2RDL	0.71
MSU	SUCCINIC ACID MONOMETHYL ESTER	I	1HNE	0.71
MSU	SUCCINIC ACID MONOMETHYL ESTER	A,B	2H5D	0.71
MSU	SUCCINIC ACID MONOMETHYL ESTER	E,I	3PRK	0.71
TBG	T-BUTYL GLYCINE	E,F,G,H	1NJU	0.7
TBG	T-BUTYL GLYCINE	A,B,C,D	2PBK	0.7
TBG	T-BUTYL GLYCINE	C	1A8G	0.7
TBG	T-BUTYL GLYCINE	A,B,C,D	2WPO	0.7
TBG	T-BUTYL GLYCINE	Y,Z	1JQ7	0.7
TBG	T-BUTYL GLYCINE	C	1NKM	0.7
TBG	T-BUTYL GLYCINE	A,B,C,D,I,J,K,L	2AJB	0.7
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1KTA	0.79
KIV	3-METHYL-2-OXOBUTANOIC ACID	A	1HJG	0.79
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1SR9	0.79
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B,C,D,E	1O68	0.79
6NA	HEXANOIC ACID	A,B	2IX4	0.71
6NA	HEXANOIC ACID	A,B	2IWZ	0.71
6NA	HEXANOIC ACID	A	2IQ0	0.71
LEA	LEVULINIC ACID	P	1VWR	0.77
LEA	LEVULINIC ACID	M,P	1VWJ	0.77
LEA	LEVULINIC ACID	A,B	1W1Z	0.77
LEA	LEVULINIC ACID	A,B	1B4K	0.77
LEA	LEVULINIC ACID	M,P	1VWK	0.77
LEA	LEVULINIC ACID	P	1VWQ	0.77
LEA	LEVULINIC ACID	A	1UK8	0.77
LEA	LEVULINIC ACID	M,P	1VWL	0.77
LEA	LEVULINIC ACID	M,P	1VWI	0.77
LEA	LEVULINIC ACID	A	1B4E	0.77
2KT	2-KETOBUTYRIC ACID	A	1RR2	0.72
2KT	2-KETOBUTYRIC ACID	A,B,C	2UYN	0.72
2KT	2-KETOBUTYRIC ACID	A,B,C,D	1TZK	0.72
2KT	2-KETOBUTYRIC ACID	X	2Q1C	0.72
2KT	2-KETOBUTYRIC ACID	X	2Q1A	0.72
DTG	DES-AMINO T-BUTYL GLYCINE	A,B,C,D	2WPO	1
4MV	4-METHYL VALERIC ACID	A,B,C	1I1M	0.79
4MV	4-METHYL VALERIC ACID	A,B,C	2EIY	0.79
4MV	4-METHYL VALERIC ACID	A	2ECO	0.79
4MV	4-METHYL VALERIC ACID	A,C,D	1UMC	0.79
4MV	4-METHYL VALERIC ACID	A,B	2COG	0.79
ALQ	2-METHYL-PROPIONIC ACID	C,D	1FKN	0.79
ALQ	2-METHYL-PROPIONIC ACID	C,D	2ZHR	0.79
ALQ	2-METHYL-PROPIONIC ACID	A	1IUP	0.79
ALQ	2-METHYL-PROPIONIC ACID	C,D	1M4H	0.79
ALQ	2-METHYL-PROPIONIC ACID	A	1R6N	0.79
ALQ	2-METHYL-PROPIONIC ACID	E,F,G,H	1XN2	0.79
SIF	3-TRIMETHYLSILYLSUCCINIC ACID	A,B	1FUQ	0.75
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	0.7
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	0.7
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	0.7
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	0.7
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	0.7
PPI	PROPANOIC ACID	A	1SEG	0.71
PPI	PROPANOIC ACID	A,B	2SFP	0.71
PPI	PROPANOIC ACID	A	2HUB	0.71
PPI	PROPANOIC ACID	A	1A8S	0.71
PPI	PROPANOIC ACID	A	1UK6	0.71
PPI	PROPANOIC ACID	A	1LIE	0.71
PPI	PROPANOIC ACID	A,B,C	2UYP	0.71
PPI	PROPANOIC ACID	A	1ADL	0.71
PPI	PROPANOIC ACID	A,P,Q	3CU8	0.71
PPI	PROPANOIC ACID	A	1TU9	0.71
PPI	PROPANOIC ACID	A	1UUX	0.71
PPI	PROPANOIC ACID	A	1UUY	0.71
PPI	PROPANOIC ACID	A	1LIC	0.71
SMB	2-METHYLBUTANOIC ACID	A,B,C	1YA8	0.9
SMB	2-METHYLBUTANOIC ACID	A	1UKA	0.9
BUA	BUTANOIC ACID	A	2CZ0	0.86
BUA	BUTANOIC ACID	A	1P0I	0.86
BUA	BUTANOIC ACID	A,B	2HA7	0.86
BUA	BUTANOIC ACID	A	1UK7	0.86
BUA	BUTANOIC ACID	A	2J4C	0.86
BUA	BUTANOIC ACID	A	1ZRM	0.86
BUA	BUTANOIC ACID	A	3DLT	0.86
BUA	BUTANOIC ACID	A	1UGP	0.86
BUA	BUTANOIC ACID	A,B	2CZ1	0.86
CCM	1-METHYL-1-CARBOXY-CYCLOPENTANE	A	1THL	0.74
IVA	ISOVALERIC ACID	A	1YOO	0.9
IVA	ISOVALERIC ACID	E,I	4ER2	0.9
IVA	ISOVALERIC ACID	E,I	1APU	0.9
IVA	ISOVALERIC ACID	E,I	1APW	0.9
IVA	ISOVALERIC ACID	E,I	1APT	0.9
IVA	ISOVALERIC ACID	A	2D5Y	0.9
IVA	ISOVALERIC ACID	A,I	1GA4	0.9
IVA	ISOVALERIC ACID	E,I	1PPK	0.9
IVA	ISOVALERIC ACID	A,B,C,D	1QS8	0.9
IVA	ISOVALERIC ACID	A,B,C	1NLU	0.9
IVA	ISOVALERIC ACID	A,B	2RMP	0.9
IVA	ISOVALERIC ACID	A,B	1KE1	0.9
IVA	ISOVALERIC ACID	E,I	1PPL	0.9
IVA	ISOVALERIC ACID	A,B,C,D,I,J	1LYB	0.9
IVA	ISOVALERIC ACID	A	2D64	0.9
IVA	ISOVALERIC ACID	I	2ER0	0.9
IVA	ISOVALERIC ACID	I	1QRP	0.9
IVA	ISOVALERIC ACID	E,I	1APV	0.9
IVA	ISOVALERIC ACID	A,B	1KDZ	0.9
IVA	ISOVALERIC ACID	A	1UK9	0.9
IVA	ISOVALERIC ACID	A,I	1WKR	0.9
IVA	ISOVALERIC ACID	A,I	3FNT	0.9
IVA	ISOVALERIC ACID	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	3FV3	0.9
IVA	ISOVALERIC ACID	I	1PSO	0.9
IVA	ISOVALERIC ACID	I	6APR	0.9
IVA	ISOVALERIC ACID	A	2D63	0.9