MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02361081

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
2KT	2-KETOBUTYRIC ACID	A	1RR2	0.84
2KT	2-KETOBUTYRIC ACID	A,B,C	2UYN	0.84
2KT	2-KETOBUTYRIC ACID	A,B,C,D	1TZK	0.84
2KT	2-KETOBUTYRIC ACID	X	2Q1C	0.84
2KT	2-KETOBUTYRIC ACID	X	2Q1A	0.84
DTG	DES-AMINO T-BUTYL GLYCINE	A,B,C,D	2WPO	0.88
SHF	LAEVULINIC ACID	A	1YLV	0.7
SHF	LAEVULINIC ACID	A	1H7N	0.7
PYR	PYRUVIC ACID	A	1I7C	0.75
PYR	PYRUVIC ACID	A	3LDH	0.75
PYR	PYRUVIC ACID	A	1AQ2	0.75
PYR	PYRUVIC ACID	A	1OS1	0.75
PYR	PYRUVIC ACID	A,B	2EZT	0.75
PYR	PYRUVIC ACID	A,B,C,D,E,F	2VHX	0.75
PYR	PYRUVIC ACID	A	1IZC	0.75
PYR	PYRUVIC ACID	B,D	1HQ6	0.75
PYR	PYRUVIC ACID	A,B	3H0V	0.75
PYR	PYRUVIC ACID	A,B,C,D	3BG3	0.75
PYR	PYRUVIC ACID	A,B,C,D	2G5F	0.75
PYR	PYRUVIC ACID	A,B,C,D	2O9A	0.75
PYR	PYRUVIC ACID	A,B,C,D	1F8M	0.75
PYR	PYRUVIC ACID	A,B,C,D	1I7M	0.75
PYR	PYRUVIC ACID	A	1W3P	0.75
PYR	PYRUVIC ACID	A,B	1P7T	0.75
PYR	PYRUVIC ACID	A,B	3DZ6	0.75
PYR	PYRUVIC ACID	A,B	1SZF	0.75
PYR	PYRUVIC ACID	A,B	2C3O	0.75
PYR	PYRUVIC ACID	A	3EP3	0.75
PYR	PYRUVIC ACID	A,B	1LDC	0.75
PYR	PYRUVIC ACID	A,B,C,D,E,F, G,H	1F3X	0.75
PYR	PYRUVIC ACID	B,D,F,H,J,L	1N13	0.75
PYR	PYRUVIC ACID	A,B	2FN1	0.75
PYR	PYRUVIC ACID	A,B	1MZO	0.75
PYR	PYRUVIC ACID	A	3BP2	0.75
PYR	PYRUVIC ACID	A	1W3O	0.75
PYR	PYRUVIC ACID	A,B	3H0W	0.75
PYR	PYRUVIC ACID	A	1H16	0.75
PYR	PYRUVIC ACID	B,E	1AW8	0.75
PYR	PYRUVIC ACID	A,B,C,D,F,G, H,J,K,L	1MT1	0.75
PYR	PYRUVIC ACID	A,B	3DZ2	0.75
PYR	PYRUVIC ACID	A,B	2OZ0	0.75
PYR	PYRUVIC ACID	A,B	2EZ8	0.75
PYR	PYRUVIC ACID	A,B	2EWD	0.75
PYR	PYRUVIC ACID	A,B	1FCB	0.75
PYR	PYRUVIC ACID	A,B	2C42	0.75
PYR	PYRUVIC ACID	A,B	2EZU	0.75
PYR	PYRUVIC ACID	A,B	3HGX	0.75
PYR	PYRUVIC ACID	A,B,C,D	2E77	0.75
PYR	PYRUVIC ACID	A	1MHM	0.75
PYR	PYRUVIC ACID	B,D,F	1IBV	0.75
PYR	PYRUVIC ACID	B	3C7D	0.75
PYR	PYRUVIC ACID	A	3EP4	0.75
PYR	PYRUVIC ACID	A	1I79	0.75
PYR	PYRUVIC ACID	A,B,C,D	3BG5	0.75
PYR	PYRUVIC ACID	A	1PKN	0.75
PYR	PYRUVIC ACID	A,B	1H18	0.75
PYR	PYRUVIC ACID	A,B,C,D	1IE3	0.75
PYR	PYRUVIC ACID	A,B,C,D	1W3T	0.75
PYR	PYRUVIC ACID	A,B	2NUY	0.75
PYR	PYRUVIC ACID	A,B	2W11	0.75
PYR	PYRUVIC ACID	A	1W3R	0.75
PYR	PYRUVIC ACID	A,B,C,D,E,F, G,H	3DV0	0.75
PYR	PYRUVIC ACID	A	2VPA	0.75
PYR	PYRUVIC ACID	B,D,F	1PYA	0.75
PYR	PYRUVIC ACID	A,B,C,D,E,F, H,I,J,K,L	2QQC	0.75
PYR	PYRUVIC ACID	A,B,C,D,E,F	1WA3	0.75
PYR	PYRUVIC ACID	A,B	1DXF	0.75
PYR	PYRUVIC ACID	B,D,F	1IBW	0.75
PYR	PYRUVIC ACID	B	1VC3	0.75
PYR	PYRUVIC ACID	A,C	1JEN	0.75
PYR	PYRUVIC ACID	A,B,C,D	2R94	0.75
PYR	PYRUVIC ACID	A	1SAY	0.75
PYR	PYRUVIC ACID	A,B,C,D,E,F, G,H	1F3W	0.75
PYR	PYRUVIC ACID	A,B	3DZ4	0.75
PYR	PYRUVIC ACID	A,B,C,D	1W3I	0.75
PYR	PYRUVIC ACID	A,B	3DZ7	0.75
PYR	PYRUVIC ACID	B,D,F	1IBT	0.75
PYR	PYRUVIC ACID	A	3EP5	0.75
PYR	PYRUVIC ACID	A,B	3EPB	0.75
PYR	PYRUVIC ACID	A,B	3DZ5	0.75
PYR	PYRUVIC ACID	A	3EP8	0.75
PYR	PYRUVIC ACID	A,B	3EPA	0.75
PYR	PYRUVIC ACID	A,B,C,D	2VK1	0.75
PYR	PYRUVIC ACID	A,B	3DI1	0.75
PYR	PYRUVIC ACID	A	3EP9	0.75
PYR	PYRUVIC ACID	A,B	2FM3	0.75
PYR	PYRUVIC ACID	A,B,C,D	1XG3	0.75
PYR	PYRUVIC ACID	A	3EP6	0.75
PYR	PYRUVIC ACID	A,B	2HZL	0.75
PYR	PYRUVIC ACID	A	1I7B	0.75
PYR	PYRUVIC ACID	A	3EP7	0.75
PYR	PYRUVIC ACID	B,D,F	1IBU	0.75
PYR	PYRUVIC ACID	A,B,C,D	2H9D	0.75
PYR	PYRUVIC ACID	A,B,C,D	1FDZ	0.75
PYR	PYRUVIC ACID	A,B	1KBI	0.75
PYR	PYRUVIC ACID	A,B	2C3U	0.75
PYR	PYRUVIC ACID	B	2EEO	0.75
PYR	PYRUVIC ACID	A	1I72	0.75
PYR	PYRUVIC ACID	A,B,C	1EUA	0.75
PYR	PYRUVIC ACID	A	1RQH	0.75
PYR	PYRUVIC ACID	A,B,C,D	1I7Q	0.75
PYR	PYRUVIC ACID	A,B	2PDA	0.75
PYR	PYRUVIC ACID	A,B	2QF2	0.75
PYR	PYRUVIC ACID	A,B,C,D	1PJ3	0.75
PYR	PYRUVIC ACID	A,B	3DZ3	0.75
PYR	PYRUVIC ACID	A,B,C,D	1O5Q	0.75
PYR	PYRUVIC ACID	A	3BLF	0.75
PYR	PYRUVIC ACID	A	1YLH	0.75
PYR	PYRUVIC ACID	A,B,C,D,E,F, G,H	2G50	0.75
PYR	PYRUVIC ACID	A,B,C,D,E	2QQD	0.75
PYR	PYRUVIC ACID	A,B,C	2VWT	0.75
PYR	PYRUVIC ACID	A,B,C,D	1IGW	0.75
PYR	PYRUVIC ACID	A	1K3C	0.75
PYR	PYRUVIC ACID	A	3BLI	0.75
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	0.81
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	0.81
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	0.81
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	0.81
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	0.81
4MV	4-METHYL VALERIC ACID	A,B,C	1I1M	0.7
4MV	4-METHYL VALERIC ACID	A,B,C	2EIY	0.7
4MV	4-METHYL VALERIC ACID	A	2ECO	0.7
4MV	4-METHYL VALERIC ACID	A,C,D	1UMC	0.7
4MV	4-METHYL VALERIC ACID	A,B	2COG	0.7
PIV	PIVALIC ACID	B,D,F,H	1SMR	0.75
BUA	BUTANOIC ACID	A	2CZ0	0.75
BUA	BUTANOIC ACID	A	1P0I	0.75
BUA	BUTANOIC ACID	A,B	2HA7	0.75
BUA	BUTANOIC ACID	A	1UK7	0.75
BUA	BUTANOIC ACID	A	2J4C	0.75
BUA	BUTANOIC ACID	A	1ZRM	0.75
BUA	BUTANOIC ACID	A	3DLT	0.75
BUA	BUTANOIC ACID	A	1UGP	0.75
BUA	BUTANOIC ACID	A,B	2CZ1	0.75
VAD	DEAMINOHYDROXYVALINE	C	1CWO	0.74
IVA	ISOVALERIC ACID	A	1YOO	0.79
IVA	ISOVALERIC ACID	E,I	4ER2	0.79
IVA	ISOVALERIC ACID	E,I	1APU	0.79
IVA	ISOVALERIC ACID	E,I	1APW	0.79
IVA	ISOVALERIC ACID	E,I	1APT	0.79
IVA	ISOVALERIC ACID	A	2D5Y	0.79
IVA	ISOVALERIC ACID	A,I	1GA4	0.79
IVA	ISOVALERIC ACID	E,I	1PPK	0.79
IVA	ISOVALERIC ACID	A,B,C,D	1QS8	0.79
IVA	ISOVALERIC ACID	A,B,C	1NLU	0.79
IVA	ISOVALERIC ACID	A,B	2RMP	0.79
IVA	ISOVALERIC ACID	A,B	1KE1	0.79
IVA	ISOVALERIC ACID	E,I	1PPL	0.79
IVA	ISOVALERIC ACID	A,B,C,D,I,J	1LYB	0.79
IVA	ISOVALERIC ACID	A	2D64	0.79
IVA	ISOVALERIC ACID	I	2ER0	0.79
IVA	ISOVALERIC ACID	I	1QRP	0.79
IVA	ISOVALERIC ACID	E,I	1APV	0.79
IVA	ISOVALERIC ACID	A,B	1KDZ	0.79
IVA	ISOVALERIC ACID	A	1UK9	0.79
IVA	ISOVALERIC ACID	A,I	1WKR	0.79
IVA	ISOVALERIC ACID	A,I	3FNT	0.79
IVA	ISOVALERIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.79
IVA	ISOVALERIC ACID	I	1PSO	0.79
IVA	ISOVALERIC ACID	I	6APR	0.79
IVA	ISOVALERIC ACID	A	2D63	0.79
AAE	ACETOACETIC ACID	A,B,C,D	3EEW	0.71
AAE	ACETOACETIC ACID	A	1FCP	0.71
AAE	ACETOACETIC ACID	A	1UJW	0.71
AAE	ACETOACETIC ACID	A,B	1QCO	0.71
AAE	ACETOACETIC ACID	A,B,C,D,L	1E3W	0.71
AAE	ACETOACETIC ACID	A,B	1YSL	0.71
AAE	ACETOACETIC ACID	A	2FCP	0.71
SMB	2-METHYLBUTANOIC ACID	A,B,C	1YA8	0.79
SMB	2-METHYLBUTANOIC ACID	A	1UKA	0.79
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1KTA	0.91
KIV	3-METHYL-2-OXOBUTANOIC ACID	A	1HJG	0.91
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1SR9	0.91
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B,C,D,E	1O68	0.91
KMT	4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID	A,B	1V2E	0.7
PAF	PANTOATE	A,B	2OFP	0.74
PAF	PANTOATE	A,B	1N2E	0.74
PAF	PANTOATE	A,B	1N2B	0.74
PAF	PANTOATE	A,B	1N2J	0.74
KPL	KETOPANTOATE	A,B,C,D,E,F, G,H,I,J	1M3U	0.8