MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009044

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
SLE	2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACID	A,B	1ATL	0.76
IVA	ISOVALERIC ACID	A	1YOO	0.77
IVA	ISOVALERIC ACID	E,I	4ER2	0.77
IVA	ISOVALERIC ACID	E,I	1APU	0.77
IVA	ISOVALERIC ACID	E,I	1APW	0.77
IVA	ISOVALERIC ACID	E,I	1APT	0.77
IVA	ISOVALERIC ACID	A	2D5Y	0.77
IVA	ISOVALERIC ACID	A,I	1GA4	0.77
IVA	ISOVALERIC ACID	E,I	1PPK	0.77
IVA	ISOVALERIC ACID	A,B,C,D	1QS8	0.77
IVA	ISOVALERIC ACID	A,B,C	1NLU	0.77
IVA	ISOVALERIC ACID	A,B	2RMP	0.77
IVA	ISOVALERIC ACID	A,B	1KE1	0.77
IVA	ISOVALERIC ACID	E,I	1PPL	0.77
IVA	ISOVALERIC ACID	A,B,C,D,I,J	1LYB	0.77
IVA	ISOVALERIC ACID	A	2D64	0.77
IVA	ISOVALERIC ACID	I	2ER0	0.77
IVA	ISOVALERIC ACID	I	1QRP	0.77
IVA	ISOVALERIC ACID	E,I	1APV	0.77
IVA	ISOVALERIC ACID	A,B	1KDZ	0.77
IVA	ISOVALERIC ACID	A	1UK9	0.77
IVA	ISOVALERIC ACID	A,I	1WKR	0.77
IVA	ISOVALERIC ACID	A,I	3FNT	0.77
IVA	ISOVALERIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.77
IVA	ISOVALERIC ACID	I	1PSO	0.77
IVA	ISOVALERIC ACID	I	6APR	0.77
IVA	ISOVALERIC ACID	A	2D63	0.77
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1YBA	0.71
AKG	2-OXYGLUTARIC ACID	A	1DS1	0.71
AKG	2-OXYGLUTARIC ACID	A	1H2L	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C	1NX8	0.71
AKG	2-OXYGLUTARIC ACID	A,B	3BUC	0.71
AKG	2-OXYGLUTARIC ACID	A	2RDN	0.71
AKG	2-OXYGLUTARIC ACID	A,B	3BIE	0.71
AKG	2-OXYGLUTARIC ACID	A,D	1OIK	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C,D	3DC1	0.71
AKG	2-OXYGLUTARIC ACID	A,B	2FDF	0.71
AKG	2-OXYGLUTARIC ACID	A	3D8C	0.71
AKG	2-OXYGLUTARIC ACID	A	1DRY	0.71
AKG	2-OXYGLUTARIC ACID	A,B	2FDH	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C	2J9E	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F	2QFY	0.71
AKG	2-OXYGLUTARIC ACID	A	1UNB	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1OIJ	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F	2QFX	0.71
AKG	2-OXYGLUTARIC ACID	A,B	1GQW	0.71
AKG	2-OXYGLUTARIC ACID	A,B	3BKZ	0.71
AKG	2-OXYGLUTARIC ACID	A,B	2GP5	0.71
AKG	2-OXYGLUTARIC ACID	A,B	3GJB	0.71
AKG	2-OXYGLUTARIC ACID	A	1GP4	0.71
AKG	2-OXYGLUTARIC ACID	A	2RDQ	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F	1HWY	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2VDC	0.71
AKG	2-OXYGLUTARIC ACID	A,B	3BU0	0.71
AKG	2-OXYGLUTARIC ACID	A,B	2FCT	0.71
AKG	2-OXYGLUTARIC ACID	A,B,F,G	2Q8C	0.71
AKG	2-OXYGLUTARIC ACID	A,B	1GY9	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1OII	0.71
AKG	2-OXYGLUTARIC ACID	A	2A1X	0.71
AKG	2-OXYGLUTARIC ACID	A	1H2N	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C	1NX4	0.71
AKG	2-OXYGLUTARIC ACID	A	2BRT	0.71
AKG	2-OXYGLUTARIC ACID	A,B	2FCV	0.71
AKG	2-OXYGLUTARIC ACID	A,B	2FDI	0.71
AKG	2-OXYGLUTARIC ACID	A	2YU1	0.71
AKG	2-OXYGLUTARIC ACID	A,B	2FDK	0.71
AKG	2-OXYGLUTARIC ACID	A	1E5I	0.71
AKG	2-OXYGLUTARIC ACID	A	1UOB	0.71
AKG	2-OXYGLUTARIC ACID	A,B	1OFE	0.71
AKG	2-OXYGLUTARIC ACID	A	2ILM	0.71
AKG	2-OXYGLUTARIC ACID	A,B	2FCU	0.71
AKG	2-OXYGLUTARIC ACID	A,B	1AIB	0.71
AKG	2-OXYGLUTARIC ACID	A	1RXG	0.71
AKG	2-OXYGLUTARIC ACID	A	1MZF	0.71
AKG	2-OXYGLUTARIC ACID	A,B	1EA0	0.71
AKG	2-OXYGLUTARIC ACID	A	1DRT	0.71
AKG	2-OXYGLUTARIC ACID	A	2IUW	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C,D	3BN1	0.71
AKG	2-OXYGLUTARIC ACID	A,B	2FD8	0.71
AKG	2-OXYGLUTARIC ACID	A	2JJH	0.71
AKG	2-OXYGLUTARIC ACID	A	1IKA	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1OS7	0.71
AKG	2-OXYGLUTARIC ACID	A	1MDX	0.71
AKG	2-OXYGLUTARIC ACID	A,B	1OFD	0.71
AKG	2-OXYGLUTARIC ACID	A	2CJH	0.71
AKG	2-OXYGLUTARIC ACID	A	1GP5	0.71
AKG	2-OXYGLUTARIC ACID	A	1CW4	0.71
AKG	2-OXYGLUTARIC ACID	A,B	3BI3	0.71
AKG	2-OXYGLUTARIC ACID	A	1BL5	0.71
AKG	2-OXYGLUTARIC ACID	A	1LLW	0.71
AKG	2-OXYGLUTARIC ACID	A	2ZE3	0.71
AKG	2-OXYGLUTARIC ACID	A	1GVG	0.71
1LU	4-METHYL-PENTANOIC ACID-2-OXYL GROUP	E,I	6TMN	0.83
1LU	4-METHYL-PENTANOIC ACID-2-OXYL GROUP	I	1DS2	0.83
SHF	LAEVULINIC ACID	A	1YLV	0.78
SHF	LAEVULINIC ACID	A	1H7N	0.78
SMB	2-METHYLBUTANOIC ACID	A,B,C	1YA8	0.77
SMB	2-METHYLBUTANOIC ACID	A	1UKA	0.77
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	0.77
2KT	2-KETOBUTYRIC ACID	A,B,C	2UYN	0.77
2KT	2-KETOBUTYRIC ACID	A,B,C,D	1TZK	0.77
2KT	2-KETOBUTYRIC ACID	X	2Q1C	0.77
2KT	2-KETOBUTYRIC ACID	X	2Q1A	0.77
4MV	4-METHYL VALERIC ACID	A,B,C	1I1M	0.89
4MV	4-METHYL VALERIC ACID	A,B,C	2EIY	0.89
4MV	4-METHYL VALERIC ACID	A	2ECO	0.89
4MV	4-METHYL VALERIC ACID	A,C,D	1UMC	0.89
4MV	4-METHYL VALERIC ACID	A,B	2COG	0.89
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	1
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	1
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	1
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	1
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	1
VAD	DEAMINOHYDROXYVALINE	C	1CWO	0.73
DTG	DES-AMINO T-BUTYL GLYCINE	A,B,C,D	2WPO	0.7
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1KTA	0.89
KIV	3-METHYL-2-OXOBUTANOIC ACID	A	1HJG	0.89
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1SR9	0.89
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B,C,D,E	1O68	0.89
4AT	5-OXOHEXANOIC ACID	A,B	2EFY	0.71
LML	ISOBUTYL MALONIC ACID	A	1BFW	0.78
2PP	2-PROPYL-PENTANOIC ACID	P	1DIT	0.78