MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009035

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
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
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	0.72
SHF	LAEVULINIC ACID	A	1H7N	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
PYR	PYRUVIC ACID	A	1I7C	0.77
PYR	PYRUVIC ACID	A	3LDH	0.77
PYR	PYRUVIC ACID	A	1AQ2	0.77
PYR	PYRUVIC ACID	A	1OS1	0.77
PYR	PYRUVIC ACID	A,B	2EZT	0.77
PYR	PYRUVIC ACID	A,B,C,D,E,F	2VHX	0.77
PYR	PYRUVIC ACID	A	1IZC	0.77
PYR	PYRUVIC ACID	B,D	1HQ6	0.77
PYR	PYRUVIC ACID	A,B	3H0V	0.77
PYR	PYRUVIC ACID	A,B,C,D	3BG3	0.77
PYR	PYRUVIC ACID	A,B,C,D	2G5F	0.77
PYR	PYRUVIC ACID	A,B,C,D	2O9A	0.77
PYR	PYRUVIC ACID	A,B,C,D	1F8M	0.77
PYR	PYRUVIC ACID	A,B,C,D	1I7M	0.77
PYR	PYRUVIC ACID	A	1W3P	0.77
PYR	PYRUVIC ACID	A,B	1P7T	0.77
PYR	PYRUVIC ACID	A,B	3DZ6	0.77
PYR	PYRUVIC ACID	A,B	1SZF	0.77
PYR	PYRUVIC ACID	A,B	2C3O	0.77
PYR	PYRUVIC ACID	A	3EP3	0.77
PYR	PYRUVIC ACID	A,B	1LDC	0.77
PYR	PYRUVIC ACID	A,B,C,D,E,F, G,H	1F3X	0.77
PYR	PYRUVIC ACID	B,D,F,H,J,L	1N13	0.77
PYR	PYRUVIC ACID	A,B	2FN1	0.77
PYR	PYRUVIC ACID	A,B	1MZO	0.77
PYR	PYRUVIC ACID	A	3BP2	0.77
PYR	PYRUVIC ACID	A	1W3O	0.77
PYR	PYRUVIC ACID	A,B	3H0W	0.77
PYR	PYRUVIC ACID	A	1H16	0.77
PYR	PYRUVIC ACID	B,E	1AW8	0.77
PYR	PYRUVIC ACID	A,B,C,D,F,G, H,J,K,L	1MT1	0.77
PYR	PYRUVIC ACID	A,B	3DZ2	0.77
PYR	PYRUVIC ACID	A,B	2OZ0	0.77
PYR	PYRUVIC ACID	A,B	2EZ8	0.77
PYR	PYRUVIC ACID	A,B	2EWD	0.77
PYR	PYRUVIC ACID	A,B	1FCB	0.77
PYR	PYRUVIC ACID	A,B	2C42	0.77
PYR	PYRUVIC ACID	A,B	2EZU	0.77
PYR	PYRUVIC ACID	A,B	3HGX	0.77
PYR	PYRUVIC ACID	A,B,C,D	2E77	0.77
PYR	PYRUVIC ACID	A	1MHM	0.77
PYR	PYRUVIC ACID	B,D,F	1IBV	0.77
PYR	PYRUVIC ACID	B	3C7D	0.77
PYR	PYRUVIC ACID	A	3EP4	0.77
PYR	PYRUVIC ACID	A	1I79	0.77
PYR	PYRUVIC ACID	A,B,C,D	3BG5	0.77
PYR	PYRUVIC ACID	A	1PKN	0.77
PYR	PYRUVIC ACID	A,B	1H18	0.77
PYR	PYRUVIC ACID	A,B,C,D	1IE3	0.77
PYR	PYRUVIC ACID	A,B,C,D	1W3T	0.77
PYR	PYRUVIC ACID	A,B	2NUY	0.77
PYR	PYRUVIC ACID	A,B	2W11	0.77
PYR	PYRUVIC ACID	A	1W3R	0.77
PYR	PYRUVIC ACID	A,B,C,D,E,F, G,H	3DV0	0.77
PYR	PYRUVIC ACID	A	2VPA	0.77
PYR	PYRUVIC ACID	B,D,F	1PYA	0.77
PYR	PYRUVIC ACID	A,B,C,D,E,F, H,I,J,K,L	2QQC	0.77
PYR	PYRUVIC ACID	A,B,C,D,E,F	1WA3	0.77
PYR	PYRUVIC ACID	A,B	1DXF	0.77
PYR	PYRUVIC ACID	B,D,F	1IBW	0.77
PYR	PYRUVIC ACID	B	1VC3	0.77
PYR	PYRUVIC ACID	A,C	1JEN	0.77
PYR	PYRUVIC ACID	A,B,C,D	2R94	0.77
PYR	PYRUVIC ACID	A	1SAY	0.77
PYR	PYRUVIC ACID	A,B,C,D,E,F, G,H	1F3W	0.77
PYR	PYRUVIC ACID	A,B	3DZ4	0.77
PYR	PYRUVIC ACID	A,B,C,D	1W3I	0.77
PYR	PYRUVIC ACID	A,B	3DZ7	0.77
PYR	PYRUVIC ACID	B,D,F	1IBT	0.77
PYR	PYRUVIC ACID	A	3EP5	0.77
PYR	PYRUVIC ACID	A,B	3EPB	0.77
PYR	PYRUVIC ACID	A,B	3DZ5	0.77
PYR	PYRUVIC ACID	A	3EP8	0.77
PYR	PYRUVIC ACID	A,B	3EPA	0.77
PYR	PYRUVIC ACID	A,B,C,D	2VK1	0.77
PYR	PYRUVIC ACID	A,B	3DI1	0.77
PYR	PYRUVIC ACID	A	3EP9	0.77
PYR	PYRUVIC ACID	A,B	2FM3	0.77
PYR	PYRUVIC ACID	A,B,C,D	1XG3	0.77
PYR	PYRUVIC ACID	A	3EP6	0.77
PYR	PYRUVIC ACID	A,B	2HZL	0.77
PYR	PYRUVIC ACID	A	1I7B	0.77
PYR	PYRUVIC ACID	A	3EP7	0.77
PYR	PYRUVIC ACID	B,D,F	1IBU	0.77
PYR	PYRUVIC ACID	A,B,C,D	2H9D	0.77
PYR	PYRUVIC ACID	A,B,C,D	1FDZ	0.77
PYR	PYRUVIC ACID	A,B	1KBI	0.77
PYR	PYRUVIC ACID	A,B	2C3U	0.77
PYR	PYRUVIC ACID	B	2EEO	0.77
PYR	PYRUVIC ACID	A	1I72	0.77
PYR	PYRUVIC ACID	A,B,C	1EUA	0.77
PYR	PYRUVIC ACID	A	1RQH	0.77
PYR	PYRUVIC ACID	A,B,C,D	1I7Q	0.77
PYR	PYRUVIC ACID	A,B	2PDA	0.77
PYR	PYRUVIC ACID	A,B	2QF2	0.77
PYR	PYRUVIC ACID	A,B,C,D	1PJ3	0.77
PYR	PYRUVIC ACID	A,B	3DZ3	0.77
PYR	PYRUVIC ACID	A,B,C,D	1O5Q	0.77
PYR	PYRUVIC ACID	A	3BLF	0.77
PYR	PYRUVIC ACID	A	1YLH	0.77
PYR	PYRUVIC ACID	A,B,C,D,E,F, G,H	2G50	0.77
PYR	PYRUVIC ACID	A,B,C,D,E	2QQD	0.77
PYR	PYRUVIC ACID	A,B,C	2VWT	0.77
PYR	PYRUVIC ACID	A,B,C,D	1IGW	0.77
PYR	PYRUVIC ACID	A	1K3C	0.77
PYR	PYRUVIC ACID	A	3BLI	0.77
VAD	DEAMINOHYDROXYVALINE	C	1CWO	0.81
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
KPL	KETOPANTOATE	A,B,C,D,E,F, G,H,I,J	1M3U	0.73
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
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1KTA	1
KIV	3-METHYL-2-OXOBUTANOIC ACID	A	1HJG	1
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1SR9	1
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B,C,D,E	1O68	1
LEA	LEVULINIC ACID	P	1VWR	0.71
LEA	LEVULINIC ACID	M,P	1VWJ	0.71
LEA	LEVULINIC ACID	A,B	1W1Z	0.71
LEA	LEVULINIC ACID	A,B	1B4K	0.71
LEA	LEVULINIC ACID	M,P	1VWK	0.71
LEA	LEVULINIC ACID	P	1VWQ	0.71
LEA	LEVULINIC ACID	A	1UK8	0.71
LEA	LEVULINIC ACID	M,P	1VWL	0.71
LEA	LEVULINIC ACID	M,P	1VWI	0.71
LEA	LEVULINIC ACID	A	1B4E	0.71
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	0.89
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	0.89
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	0.89
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	0.89
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	0.89
KMT	4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID	A,B	1V2E	0.72
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
2KT	2-KETOBUTYRIC ACID	A	1RR2	0.87
2KT	2-KETOBUTYRIC ACID	A,B,C	2UYN	0.87
2KT	2-KETOBUTYRIC ACID	A,B,C,D	1TZK	0.87
2KT	2-KETOBUTYRIC ACID	X	2Q1C	0.87
2KT	2-KETOBUTYRIC ACID	X	2Q1A	0.87