MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02369680

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
IVA	ISOVALERIC ACID	A	1YOO	0.72
IVA	ISOVALERIC ACID	E,I	4ER2	0.72
IVA	ISOVALERIC ACID	E,I	1APU	0.72
IVA	ISOVALERIC ACID	E,I	1APW	0.72
IVA	ISOVALERIC ACID	E,I	1APT	0.72
IVA	ISOVALERIC ACID	A	2D5Y	0.72
IVA	ISOVALERIC ACID	A,I	1GA4	0.72
IVA	ISOVALERIC ACID	E,I	1PPK	0.72
IVA	ISOVALERIC ACID	A,B,C,D	1QS8	0.72
IVA	ISOVALERIC ACID	A,B,C	1NLU	0.72
IVA	ISOVALERIC ACID	A,B	2RMP	0.72
IVA	ISOVALERIC ACID	A,B	1KE1	0.72
IVA	ISOVALERIC ACID	E,I	1PPL	0.72
IVA	ISOVALERIC ACID	A,B,C,D,I,J	1LYB	0.72
IVA	ISOVALERIC ACID	A	2D64	0.72
IVA	ISOVALERIC ACID	I	2ER0	0.72
IVA	ISOVALERIC ACID	I	1QRP	0.72
IVA	ISOVALERIC ACID	E,I	1APV	0.72
IVA	ISOVALERIC ACID	A,B	1KDZ	0.72
IVA	ISOVALERIC ACID	A	1UK9	0.72
IVA	ISOVALERIC ACID	A,I	1WKR	0.72
IVA	ISOVALERIC ACID	A,I	3FNT	0.72
IVA	ISOVALERIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.72
IVA	ISOVALERIC ACID	I	1PSO	0.72
IVA	ISOVALERIC ACID	I	6APR	0.72
IVA	ISOVALERIC ACID	A	2D63	0.72
KPL	KETOPANTOATE	A,B,C,D,E,F, G,H,I,J	1M3U	0.7
SMB	2-METHYLBUTANOIC ACID	A,B,C	1YA8	0.72
SMB	2-METHYLBUTANOIC ACID	A	1UKA	0.72
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	0.71
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	0.71
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	0.71
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	0.71
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	0.71
2KT	2-KETOBUTYRIC ACID	A	1RR2	0.72
2KT	2-KETOBUTYRIC ACID	A,B,C	2UYN	0.72
2KT	2-KETOBUTYRIC ACID	A,B,C,D	1TZK	0.72
2KT	2-KETOBUTYRIC ACID	X	2Q1C	0.72
2KT	2-KETOBUTYRIC ACID	X	2Q1A	0.72
DTG	DES-AMINO T-BUTYL GLYCINE	A,B,C,D	2WPO	0.8
PAF	PANTOATE	A,B	2OFP	0.77
PAF	PANTOATE	A,B	1N2E	0.77
PAF	PANTOATE	A,B	1N2B	0.77
PAF	PANTOATE	A,B	1N2J	0.77
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1KTA	0.78
KIV	3-METHYL-2-OXOBUTANOIC ACID	A	1HJG	0.78
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1SR9	0.78
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B,C,D,E	1O68	0.78
VAD	DEAMINOHYDROXYVALINE	C	1CWO	0.78
1LU	4-METHYL-PENTANOIC ACID-2-OXYL GROUP	E,I	6TMN	0.7
1LU	4-METHYL-PENTANOIC ACID-2-OXYL GROUP	I	1DS2	0.7