Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007282

Ligand	Ligand name	Chain	PDB	Tanimoto
IVA	ISOVALERIC ACID	A	1YOO	1
IVA	ISOVALERIC ACID	E,I	4ER2	1
IVA	ISOVALERIC ACID	E,I	1APU	1
IVA	ISOVALERIC ACID	E,I	1APW	1
IVA	ISOVALERIC ACID	E,I	1APT	1
IVA	ISOVALERIC ACID	A	2D5Y	1
IVA	ISOVALERIC ACID	A,I	1GA4	1
IVA	ISOVALERIC ACID	E,I	1PPK	1
IVA	ISOVALERIC ACID	A,B,C,D	1QS8	1
IVA	ISOVALERIC ACID	A,B,C	1NLU	1
IVA	ISOVALERIC ACID	A,B	2RMP	1
IVA	ISOVALERIC ACID	A,B	1KE1	1
IVA	ISOVALERIC ACID	E,I	1PPL	1
IVA	ISOVALERIC ACID	A,B,C,D,I,J	1LYB	1
IVA	ISOVALERIC ACID	A	2D64	1
IVA	ISOVALERIC ACID	I	2ER0	1
IVA	ISOVALERIC ACID	I	1QRP	1
IVA	ISOVALERIC ACID	E,I	1APV	1
IVA	ISOVALERIC ACID	A,B	1KDZ	1
IVA	ISOVALERIC ACID	A	1UK9	1
IVA	ISOVALERIC ACID	A,I	1WKR	1
IVA	ISOVALERIC ACID	A,I	3FNT	1
IVA	ISOVALERIC ACID	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	3FV3	1
IVA	ISOVALERIC ACID	I	1PSO	1
IVA	ISOVALERIC ACID	I	6APR	1
IVA	ISOVALERIC ACID	A	2D63	1
2KT	2-KETOBUTYRIC ACID	A	1RR2	0.74
2KT	2-KETOBUTYRIC ACID	A,B,C	2UYN	0.74
2KT	2-KETOBUTYRIC ACID	A,B,C,D	1TZK	0.74
2KT	2-KETOBUTYRIC ACID	X	2Q1C	0.74
2KT	2-KETOBUTYRIC ACID	X	2Q1A	0.74
HIU	(2R)-3-HYDROXY-2-METHYLPROPANOIC ACID	A	3BPT	0.73
SIN	SUCCINIC ACID	A,B	1KQE	0.71
SIN	SUCCINIC ACID	A,B,C,D	1KOR	0.71
SIN	SUCCINIC ACID	A,B,C,D	3GXW	0.71
SIN	SUCCINIC ACID	A	2AYD	0.71
SIN	SUCCINIC ACID	A,B,D,E	2BWN	0.71
SIN	SUCCINIC ACID	A,B	3E4O	0.71
SIN	SUCCINIC ACID	C,D	1ZKF	0.71
SIN	SUCCINIC ACID	A	1UO9	0.71
SIN	SUCCINIC ACID	A,B	3BY9	0.71
SIN	SUCCINIC ACID	H,I	1OYT	0.71
SIN	SUCCINIC ACID	A,B,C,D	1VZ5	0.71
SIN	SUCCINIC ACID	I	1THS	0.71
SIN	SUCCINIC ACID	A	2WBP	0.71
SIN	SUCCINIC ACID	A,B	2DJL	0.71
SIN	SUCCINIC ACID	D,H	2FES	0.71
SIN	SUCCINIC ACID	A,B	3CQY	0.71
SIN	SUCCINIC ACID	A,B,F,G	2Q8D	0.71
SIN	SUCCINIC ACID	A,B	2BIF	0.71
SIN	SUCCINIC ACID	A	2FDJ	0.71
SIN	SUCCINIC ACID	A	1O6F	0.71
SIN	SUCCINIC ACID	A	1O6G	0.71
SIN	SUCCINIC ACID	H	2CN0	0.71
SIN	SUCCINIC ACID	C,D	1RMH	0.71
SIN	SUCCINIC ACID	A,B,D,F,G,H,I	2IXP	0.71
SIN	SUCCINIC ACID	A,B	3EDN	0.71
SIN	SUCCINIC ACID	A	2CNQ	0.71
SIN	SUCCINIC ACID	A,B,C,D	2Z0A	0.71
SIN	SUCCINIC ACID	A,B,C,D,E,F,G,H,I,J,K,L	1HQJ	0.71
SIN	SUCCINIC ACID	A	3GC2	0.71
SIN	SUCCINIC ACID	S	1AU8	0.71
SIN	SUCCINIC ACID	A	1RPV	0.71
SIN	SUCCINIC ACID	B,M,P	2RKZ	0.71
SIN	SUCCINIC ACID	A	1KYC	0.71
SIN	SUCCINIC ACID	A	1D4D	0.71
SIN	SUCCINIC ACID	B	1PIP	0.71
SIN	SUCCINIC ACID	D,H	2FEQ	0.71
SIN	SUCCINIC ACID	H,P	2ANK	0.71
SIN	SUCCINIC ACID	A	1CZE	0.71
SIN	SUCCINIC ACID	A,B,C,D,E,F,G,H	3HWK	0.71
SIN	SUCCINIC ACID	A,B,C,D	1F8I	0.71
SIN	SUCCINIC ACID	A,B,C,D	1XG3	0.71
SIN	SUCCINIC ACID	H,P	2A2X	0.71
SIN	SUCCINIC ACID	A	1H2Z	0.71
SIN	SUCCINIC ACID	A,B,C,D	1HG0	0.71
SIN	SUCCINIC ACID	A,B,C,D,E,F,G,H	1L4X	0.71
SIN	SUCCINIC ACID	A	2CSG	0.71
SIN	SUCCINIC ACID	A	1KNP	0.71
SIN	SUCCINIC ACID	A	1E5H	0.71
SIN	SUCCINIC ACID	A	1ABZ	0.71
SIN	SUCCINIC ACID	D,H	1NZQ	0.71
SIN	SUCCINIC ACID	A,B	2V62	0.71
SIN	SUCCINIC ACID	A,B	2FDG	0.71
SIN	SUCCINIC ACID	A,B	2FDK	0.71
SIN	SUCCINIC ACID	A,B	2FDI	0.71
SIN	SUCCINIC ACID	H	2CF9	0.71
SIN	SUCCINIC ACID	B	1LOP	0.71
SIN	SUCCINIC ACID	A,B	1H6C	0.71
SIN	SUCCINIC ACID	A	3BIF	0.71
SIN	SUCCINIC ACID	A	1ZWG	0.71
SIN	SUCCINIC ACID	S	1CGH	0.71
SIN	SUCCINIC ACID	D,H	1O0D	0.71
SIN	SUCCINIC ACID	H	2CF8	0.71
SIN	SUCCINIC ACID	A	2CGN	0.71
SIN	SUCCINIC ACID	A,X	2AGE	0.71
SIN	SUCCINIC ACID	A,B,C,D,E,F,G,H	3HZN	0.71
SIN	SUCCINIC ACID	A,B	1QGL	0.71
SIN	SUCCINIC ACID	H	2V3O	0.71
SIN	SUCCINIC ACID	A,B,C,D	2PC6	0.71
SIN	SUCCINIC ACID	A	2R2J	0.71
SIN	SUCCINIC ACID	H,I	2V3H	0.71
SIN	SUCCINIC ACID	C	1V9T	0.71
SIN	SUCCINIC ACID	A	2OG7	0.71
SIN	SUCCINIC ACID	A,D	1VZ4	0.71
SIN	SUCCINIC ACID	A,X	2AGG	0.71
SIN	SUCCINIC ACID	A	1GP6	0.71
AAE	ACETOACETIC ACID	A,B,C,D	3EEW	0.72
AAE	ACETOACETIC ACID	A	1FCP	0.72
AAE	ACETOACETIC ACID	A	1UJW	0.72
AAE	ACETOACETIC ACID	A,B	1QCO	0.72
AAE	ACETOACETIC ACID	A,B,C,D,L	1E3W	0.72
AAE	ACETOACETIC ACID	A,B	1YSL	0.72
AAE	ACETOACETIC ACID	A	2FCP	0.72
SMB	2-METHYLBUTANOIC ACID	A,B,C	1YA8	1
SMB	2-METHYLBUTANOIC ACID	A	1UKA	1
DXX	METHYLMALONIC ACID	A	1CWZ	0.72
DXX	METHYLMALONIC ACID	A,B,C,D,E,F	1ON3	0.72
DXX	METHYLMALONIC ACID	A	1CW8	0.72
PPI	PROPANOIC ACID	A	1SEG	0.74
PPI	PROPANOIC ACID	A,B	2SFP	0.74
PPI	PROPANOIC ACID	A	2HUB	0.74
PPI	PROPANOIC ACID	A	1A8S	0.74
PPI	PROPANOIC ACID	A	1UK6	0.74
PPI	PROPANOIC ACID	A	1LIE	0.74
PPI	PROPANOIC ACID	A,B,C	2UYP	0.74
PPI	PROPANOIC ACID	A	1ADL	0.74
PPI	PROPANOIC ACID	A,P,Q	3CU8	0.74
PPI	PROPANOIC ACID	A	1TU9	0.74
PPI	PROPANOIC ACID	A	1UUX	0.74
PPI	PROPANOIC ACID	A	1UUY	0.74
PPI	PROPANOIC ACID	A	1LIC	0.74
ALQ	2-METHYL-PROPIONIC ACID	C,D	1FKN	0.89
ALQ	2-METHYL-PROPIONIC ACID	C,D	2ZHR	0.89
ALQ	2-METHYL-PROPIONIC ACID	A	1IUP	0.89
ALQ	2-METHYL-PROPIONIC ACID	C,D	1M4H	0.89
ALQ	2-METHYL-PROPIONIC ACID	A	1R6N	0.89
ALQ	2-METHYL-PROPIONIC ACID	E,F,G,H	1XN2	0.89
DTG	DES-AMINO T-BUTYL GLYCINE	A,B,C,D	2WPO	0.9
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1KTA	0.87
KIV	3-METHYL-2-OXOBUTANOIC ACID	A	1HJG	0.87
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1SR9	0.87
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B,C,D,E	1O68	0.87
TSD	3-TRIMETHYLSILYL-PROPIONATE-2,2,3,3,-D4	A	1TUJ	0.7
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	0.77
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	0.77
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	0.77
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	0.77
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	0.77
BUA	BUTANOIC ACID	A	2CZ0	0.89
BUA	BUTANOIC ACID	A	1P0I	0.89
BUA	BUTANOIC ACID	A,B	2HA7	0.89
BUA	BUTANOIC ACID	A	1UK7	0.89
BUA	BUTANOIC ACID	A	2J4C	0.89
BUA	BUTANOIC ACID	A	1ZRM	0.89
BUA	BUTANOIC ACID	A	3DLT	0.89
BUA	BUTANOIC ACID	A	1UGP	0.89
BUA	BUTANOIC ACID	A,B	2CZ1	0.89
6NA	HEXANOIC ACID	A,B	2IX4	0.73
6NA	HEXANOIC ACID	A,B	2IWZ	0.73
6NA	HEXANOIC ACID	A	2IQ0	0.73
SHF	LAEVULINIC ACID	A	1YLV	0.71
SHF	LAEVULINIC ACID	A	1H7N	0.71
4MV	4-METHYL VALERIC ACID	A,B,C	1I1M	0.87
4MV	4-METHYL VALERIC ACID	A,B,C	2EIY	0.87
4MV	4-METHYL VALERIC ACID	A	2ECO	0.87
4MV	4-METHYL VALERIC ACID	A,C,D	1UMC	0.87
4MV	4-METHYL VALERIC ACID	A,B	2COG	0.87
LEA	LEVULINIC ACID	P	1VWR	0.8
LEA	LEVULINIC ACID	M,P	1VWJ	0.8
LEA	LEVULINIC ACID	A,B	1W1Z	0.8
LEA	LEVULINIC ACID	A,B	1B4K	0.8
LEA	LEVULINIC ACID	M,P	1VWK	0.8
LEA	LEVULINIC ACID	P	1VWQ	0.8
LEA	LEVULINIC ACID	A	1UK8	0.8
LEA	LEVULINIC ACID	M,P	1VWL	0.8
LEA	LEVULINIC ACID	M,P	1VWI	0.8
LEA	LEVULINIC ACID	A	1B4E	0.8
VAD	DEAMINOHYDROXYVALINE	C	1CWO	0.75
2PP	2-PROPYL-PENTANOIC ACID	P	1DIT	0.75
LML	ISOBUTYL MALONIC ACID	A	1BFW	0.75
PIV	PIVALIC ACID	B,D,F,H	1SMR	0.82
SLE	2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACID	A,B	1ATL	0.73
SIF	3-TRIMETHYLSILYLSUCCINIC ACID	A,B	1FUQ	0.77
MSU	SUCCINIC ACID MONOMETHYL ESTER	A,B,I,J	2RDL	0.73
MSU	SUCCINIC ACID MONOMETHYL ESTER	I	1HNE	0.73
MSU	SUCCINIC ACID MONOMETHYL ESTER	A,B	2H5D	0.73
MSU	SUCCINIC ACID MONOMETHYL ESTER	E,I	3PRK	0.73
DIV	D-ISOVALINE	A	1IH9	0.7
DIV	D-ISOVALINE	A	1DLZ	0.7
DIV	D-ISOVALINE	A	1OB4	0.7
DIV	D-ISOVALINE	A,B	1JOH	0.7
DIV	D-ISOVALINE	A	1EE7	0.7
DIV	D-ISOVALINE	A,B	1OB6	0.7
DIV	D-ISOVALINE	A	1GQ0	0.7
DIV	D-ISOVALINE	A	1OB7	0.7
DIV	D-ISOVALINE	A	1R9U	0.7