MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008045

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
SHF	LAEVULINIC ACID	A	1YLV	1
SHF	LAEVULINIC ACID	A	1H7N	1
4MV	4-METHYL VALERIC ACID	A,B,C	1I1M	0.77
4MV	4-METHYL VALERIC ACID	A,B,C	2EIY	0.77
4MV	4-METHYL VALERIC ACID	A	2ECO	0.77
4MV	4-METHYL VALERIC ACID	A,C,D	1UMC	0.77
4MV	4-METHYL VALERIC ACID	A,B	2COG	0.77
SHO	5-HYDROXYLAEVULINIC ACID	A	1W31	0.72
4AT	5-OXOHEXANOIC ACID	A,B	2EFY	0.78
SIF	3-TRIMETHYLSILYLSUCCINIC ACID	A,B	1FUQ	0.79
LAF	5-FLUOROLEVULINIC ACID	A,B	1GZG	0.88
DHD	2,4-DIOXO-PENTANEDIOIC ACID	A,B,C,D	1CS1	0.76
SHU	4,6-DIOXOHEPTANOIC ACID	A	1H7R	0.79
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
AAE	ACETOACETIC ACID	A,B,C,D	3EEW	0.74
AAE	ACETOACETIC ACID	A	1FCP	0.74
AAE	ACETOACETIC ACID	A	1UJW	0.74
AAE	ACETOACETIC ACID	A,B	1QCO	0.74
AAE	ACETOACETIC ACID	A,B,C,D,L	1E3W	0.74
AAE	ACETOACETIC ACID	A,B	1YSL	0.74
AAE	ACETOACETIC ACID	A	2FCP	0.74
DSB	4,7-DIOXOSEBACIC ACID	A,B	1I8J	0.75
DSB	4,7-DIOXOSEBACIC ACID	A	1EB3	0.75
DSB	4,7-DIOXOSEBACIC ACID	A,B	1L6S	0.75
DSB	4,7-DIOXOSEBACIC ACID	A,B	2C1H	0.75
SMB	2-METHYLBUTANOIC ACID	A,B,C	1YA8	0.71
SMB	2-METHYLBUTANOIC ACID	A	1UKA	0.71
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1YBA	0.78
AKG	2-OXYGLUTARIC ACID	A	1DS1	0.78
AKG	2-OXYGLUTARIC ACID	A	1H2L	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C	1NX8	0.78
AKG	2-OXYGLUTARIC ACID	A,B	3BUC	0.78
AKG	2-OXYGLUTARIC ACID	A	2RDN	0.78
AKG	2-OXYGLUTARIC ACID	A,B	3BIE	0.78
AKG	2-OXYGLUTARIC ACID	A,D	1OIK	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C,D	3DC1	0.78
AKG	2-OXYGLUTARIC ACID	A,B	2FDF	0.78
AKG	2-OXYGLUTARIC ACID	A	3D8C	0.78
AKG	2-OXYGLUTARIC ACID	A	1DRY	0.78
AKG	2-OXYGLUTARIC ACID	A,B	2FDH	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C	2J9E	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F	2QFY	0.78
AKG	2-OXYGLUTARIC ACID	A	1UNB	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1OIJ	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F	2QFX	0.78
AKG	2-OXYGLUTARIC ACID	A,B	1GQW	0.78
AKG	2-OXYGLUTARIC ACID	A,B	3BKZ	0.78
AKG	2-OXYGLUTARIC ACID	A,B	2GP5	0.78
AKG	2-OXYGLUTARIC ACID	A,B	3GJB	0.78
AKG	2-OXYGLUTARIC ACID	A	1GP4	0.78
AKG	2-OXYGLUTARIC ACID	A	2RDQ	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F	1HWY	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2VDC	0.78
AKG	2-OXYGLUTARIC ACID	A,B	3BU0	0.78
AKG	2-OXYGLUTARIC ACID	A,B	2FCT	0.78
AKG	2-OXYGLUTARIC ACID	A,B,F,G	2Q8C	0.78
AKG	2-OXYGLUTARIC ACID	A,B	1GY9	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1OII	0.78
AKG	2-OXYGLUTARIC ACID	A	2A1X	0.78
AKG	2-OXYGLUTARIC ACID	A	1H2N	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C	1NX4	0.78
AKG	2-OXYGLUTARIC ACID	A	2BRT	0.78
AKG	2-OXYGLUTARIC ACID	A,B	2FCV	0.78
AKG	2-OXYGLUTARIC ACID	A,B	2FDI	0.78
AKG	2-OXYGLUTARIC ACID	A	2YU1	0.78
AKG	2-OXYGLUTARIC ACID	A,B	2FDK	0.78
AKG	2-OXYGLUTARIC ACID	A	1E5I	0.78
AKG	2-OXYGLUTARIC ACID	A	1UOB	0.78
AKG	2-OXYGLUTARIC ACID	A,B	1OFE	0.78
AKG	2-OXYGLUTARIC ACID	A	2ILM	0.78
AKG	2-OXYGLUTARIC ACID	A,B	2FCU	0.78
AKG	2-OXYGLUTARIC ACID	A,B	1AIB	0.78
AKG	2-OXYGLUTARIC ACID	A	1RXG	0.78
AKG	2-OXYGLUTARIC ACID	A	1MZF	0.78
AKG	2-OXYGLUTARIC ACID	A,B	1EA0	0.78
AKG	2-OXYGLUTARIC ACID	A	1DRT	0.78
AKG	2-OXYGLUTARIC ACID	A	2IUW	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C,D	3BN1	0.78
AKG	2-OXYGLUTARIC ACID	A,B	2FD8	0.78
AKG	2-OXYGLUTARIC ACID	A	2JJH	0.78
AKG	2-OXYGLUTARIC ACID	A	1IKA	0.78
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1OS7	0.78
AKG	2-OXYGLUTARIC ACID	A	1MDX	0.78
AKG	2-OXYGLUTARIC ACID	A,B	1OFD	0.78
AKG	2-OXYGLUTARIC ACID	A	2CJH	0.78
AKG	2-OXYGLUTARIC ACID	A	1GP5	0.78
AKG	2-OXYGLUTARIC ACID	A	1CW4	0.78
AKG	2-OXYGLUTARIC ACID	A,B	3BI3	0.78
AKG	2-OXYGLUTARIC ACID	A	1BL5	0.78
AKG	2-OXYGLUTARIC ACID	A	1LLW	0.78
AKG	2-OXYGLUTARIC ACID	A	2ZE3	0.78
AKG	2-OXYGLUTARIC ACID	A	1GVG	0.78
TRC	TRICARBALLYLIC ACID	A	6ACN	0.7
TRC	TRICARBALLYLIC ACID	A,B	2PW0	0.7
TRC	TRICARBALLYLIC ACID	A	5ACN	0.7
IVA	ISOVALERIC ACID	A	1YOO	0.71
IVA	ISOVALERIC ACID	E,I	4ER2	0.71
IVA	ISOVALERIC ACID	E,I	1APU	0.71
IVA	ISOVALERIC ACID	E,I	1APW	0.71
IVA	ISOVALERIC ACID	E,I	1APT	0.71
IVA	ISOVALERIC ACID	A	2D5Y	0.71
IVA	ISOVALERIC ACID	A,I	1GA4	0.71
IVA	ISOVALERIC ACID	E,I	1PPK	0.71
IVA	ISOVALERIC ACID	A,B,C,D	1QS8	0.71
IVA	ISOVALERIC ACID	A,B,C	1NLU	0.71
IVA	ISOVALERIC ACID	A,B	2RMP	0.71
IVA	ISOVALERIC ACID	A,B	1KE1	0.71
IVA	ISOVALERIC ACID	E,I	1PPL	0.71
IVA	ISOVALERIC ACID	A,B,C,D,I,J	1LYB	0.71
IVA	ISOVALERIC ACID	A	2D64	0.71
IVA	ISOVALERIC ACID	I	2ER0	0.71
IVA	ISOVALERIC ACID	I	1QRP	0.71
IVA	ISOVALERIC ACID	E,I	1APV	0.71
IVA	ISOVALERIC ACID	A,B	1KDZ	0.71
IVA	ISOVALERIC ACID	A	1UK9	0.71
IVA	ISOVALERIC ACID	A,I	1WKR	0.71
IVA	ISOVALERIC ACID	A,I	3FNT	0.71
IVA	ISOVALERIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.71
IVA	ISOVALERIC ACID	I	1PSO	0.71
IVA	ISOVALERIC ACID	I	6APR	0.71
IVA	ISOVALERIC ACID	A	2D63	0.71
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	0.78
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	0.78
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	0.78
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	0.78
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	0.78
MSU	SUCCINIC ACID MONOMETHYL ESTER	A,B,I,J	2RDL	0.74
MSU	SUCCINIC ACID MONOMETHYL ESTER	I	1HNE	0.74
MSU	SUCCINIC ACID MONOMETHYL ESTER	A,B	2H5D	0.74
MSU	SUCCINIC ACID MONOMETHYL ESTER	E,I	3PRK	0.74
HKV	4,5-DIOXOPENTANOIC ACID	A	2JB8	0.76
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1KTA	0.72
KIV	3-METHYL-2-OXOBUTANOIC ACID	A	1HJG	0.72
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1SR9	0.72
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B,C,D,E	1O68	0.72
2KT	2-KETOBUTYRIC ACID	A	1RR2	0.76
2KT	2-KETOBUTYRIC ACID	A,B,C	2UYN	0.76
2KT	2-KETOBUTYRIC ACID	A,B,C,D	1TZK	0.76
2KT	2-KETOBUTYRIC ACID	X	2Q1C	0.76
2KT	2-KETOBUTYRIC ACID	X	2Q1A	0.76
DO4	2,5-DIOXOPENTANOIC ACID	X	2Q1D	0.7
OHA	10-oxohexadecanoic acid	A,B,C,D	2OD6	0.71
4OX	4-OXODECANEDIOIC ACID	A,B	1L6Y	0.73
4OX	4-OXODECANEDIOIC ACID	A	1GJP	0.73
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
SIN	SUCCINIC ACID	A,B	1KQE	0.73
SIN	SUCCINIC ACID	A,B,C,D	1KOR	0.73
SIN	SUCCINIC ACID	A,B,C,D	3GXW	0.73
SIN	SUCCINIC ACID	A	2AYD	0.73
SIN	SUCCINIC ACID	A,B,D,E	2BWN	0.73
SIN	SUCCINIC ACID	A,B	3E4O	0.73
SIN	SUCCINIC ACID	C,D	1ZKF	0.73
SIN	SUCCINIC ACID	A	1UO9	0.73
SIN	SUCCINIC ACID	A,B	3BY9	0.73
SIN	SUCCINIC ACID	H,I	1OYT	0.73
SIN	SUCCINIC ACID	A,B,C,D	1VZ5	0.73
SIN	SUCCINIC ACID	I	1THS	0.73
SIN	SUCCINIC ACID	A	2WBP	0.73
SIN	SUCCINIC ACID	A,B	2DJL	0.73
SIN	SUCCINIC ACID	D,H	2FES	0.73
SIN	SUCCINIC ACID	A,B	3CQY	0.73
SIN	SUCCINIC ACID	A,B,F,G	2Q8D	0.73
SIN	SUCCINIC ACID	A,B	2BIF	0.73
SIN	SUCCINIC ACID	A	2FDJ	0.73
SIN	SUCCINIC ACID	A	1O6F	0.73
SIN	SUCCINIC ACID	A	1O6G	0.73
SIN	SUCCINIC ACID	H	2CN0	0.73
SIN	SUCCINIC ACID	C,D	1RMH	0.73
SIN	SUCCINIC ACID	A,B,D,F,G,H,I	2IXP	0.73
SIN	SUCCINIC ACID	A,B	3EDN	0.73
SIN	SUCCINIC ACID	A	2CNQ	0.73
SIN	SUCCINIC ACID	A,B,C,D	2Z0A	0.73
SIN	SUCCINIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1HQJ	0.73
SIN	SUCCINIC ACID	A	3GC2	0.73
SIN	SUCCINIC ACID	S	1AU8	0.73
SIN	SUCCINIC ACID	A	1RPV	0.73
SIN	SUCCINIC ACID	B,M,P	2RKZ	0.73
SIN	SUCCINIC ACID	A	1KYC	0.73
SIN	SUCCINIC ACID	A	1D4D	0.73
SIN	SUCCINIC ACID	B	1PIP	0.73
SIN	SUCCINIC ACID	D,H	2FEQ	0.73
SIN	SUCCINIC ACID	H,P	2ANK	0.73
SIN	SUCCINIC ACID	A	1CZE	0.73
SIN	SUCCINIC ACID	A,B,C,D,E,F, G,H	3HWK	0.73
SIN	SUCCINIC ACID	A,B,C,D	1F8I	0.73
SIN	SUCCINIC ACID	A,B,C,D	1XG3	0.73
SIN	SUCCINIC ACID	H,P	2A2X	0.73
SIN	SUCCINIC ACID	A	1H2Z	0.73
SIN	SUCCINIC ACID	A,B,C,D	1HG0	0.73
SIN	SUCCINIC ACID	A,B,C,D,E,F, G,H	1L4X	0.73
SIN	SUCCINIC ACID	A	2CSG	0.73
SIN	SUCCINIC ACID	A	1KNP	0.73
SIN	SUCCINIC ACID	A	1E5H	0.73
SIN	SUCCINIC ACID	A	1ABZ	0.73
SIN	SUCCINIC ACID	D,H	1NZQ	0.73
SIN	SUCCINIC ACID	A,B	2V62	0.73
SIN	SUCCINIC ACID	A,B	2FDG	0.73
SIN	SUCCINIC ACID	A,B	2FDK	0.73
SIN	SUCCINIC ACID	A,B	2FDI	0.73
SIN	SUCCINIC ACID	H	2CF9	0.73
SIN	SUCCINIC ACID	B	1LOP	0.73
SIN	SUCCINIC ACID	A,B	1H6C	0.73
SIN	SUCCINIC ACID	A	3BIF	0.73
SIN	SUCCINIC ACID	A	1ZWG	0.73
SIN	SUCCINIC ACID	S	1CGH	0.73
SIN	SUCCINIC ACID	D,H	1O0D	0.73
SIN	SUCCINIC ACID	H	2CF8	0.73
SIN	SUCCINIC ACID	A	2CGN	0.73
SIN	SUCCINIC ACID	A,X	2AGE	0.73
SIN	SUCCINIC ACID	A,B,C,D,E,F, G,H	3HZN	0.73
SIN	SUCCINIC ACID	A,B	1QGL	0.73
SIN	SUCCINIC ACID	H	2V3O	0.73
SIN	SUCCINIC ACID	A,B,C,D	2PC6	0.73
SIN	SUCCINIC ACID	A	2R2J	0.73
SIN	SUCCINIC ACID	H,I	2V3H	0.73
SIN	SUCCINIC ACID	C	1V9T	0.73
SIN	SUCCINIC ACID	A	2OG7	0.73
SIN	SUCCINIC ACID	A,D	1VZ4	0.73
SIN	SUCCINIC ACID	A,X	2AGG	0.73
SIN	SUCCINIC ACID	A	1GP6	0.73
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