MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03210737

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	0.81
BCX	BETA-3-CYSTEINE	A	1J8Z	0.71
SMB	2-METHYLBUTANOIC ACID	A,B,C	1YA8	0.73
SMB	2-METHYLBUTANOIC ACID	A	1UKA	0.73
PIV	PIVALIC ACID	B,D,F,H	1SMR	0.74
MPT	BETA-MERCAPTOPROPIONIC ACID	G,M,P,S	1YYL	0.83
MPT	BETA-MERCAPTOPROPIONIC ACID	G,M,P,S	2I60	0.83
MPT	BETA-MERCAPTOPROPIONIC ACID	A,B	1XY1	0.83
MPT	BETA-MERCAPTOPROPIONIC ACID	A,B	1K09	0.83
MPT	BETA-MERCAPTOPROPIONIC ACID	G,M,P,S	1YYM	0.83
MPT	BETA-MERCAPTOPROPIONIC ACID	G,M,P,S	2I5Y	0.83
MPT	BETA-MERCAPTOPROPIONIC ACID	A,B,C	2VDN	0.83
IVA	ISOVALERIC ACID	A	1YOO	0.73
IVA	ISOVALERIC ACID	E,I	4ER2	0.73
IVA	ISOVALERIC ACID	E,I	1APU	0.73
IVA	ISOVALERIC ACID	E,I	1APW	0.73
IVA	ISOVALERIC ACID	E,I	1APT	0.73
IVA	ISOVALERIC ACID	A	2D5Y	0.73
IVA	ISOVALERIC ACID	A,I	1GA4	0.73
IVA	ISOVALERIC ACID	E,I	1PPK	0.73
IVA	ISOVALERIC ACID	A,B,C,D	1QS8	0.73
IVA	ISOVALERIC ACID	A,B,C	1NLU	0.73
IVA	ISOVALERIC ACID	A,B	2RMP	0.73
IVA	ISOVALERIC ACID	A,B	1KE1	0.73
IVA	ISOVALERIC ACID	E,I	1PPL	0.73
IVA	ISOVALERIC ACID	A,B,C,D,I,J	1LYB	0.73
IVA	ISOVALERIC ACID	A	2D64	0.73
IVA	ISOVALERIC ACID	I	2ER0	0.73
IVA	ISOVALERIC ACID	I	1QRP	0.73
IVA	ISOVALERIC ACID	E,I	1APV	0.73
IVA	ISOVALERIC ACID	A,B	1KDZ	0.73
IVA	ISOVALERIC ACID	A	1UK9	0.73
IVA	ISOVALERIC ACID	A,I	1WKR	0.73
IVA	ISOVALERIC ACID	A,I	3FNT	0.73
IVA	ISOVALERIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.73
IVA	ISOVALERIC ACID	I	1PSO	0.73
IVA	ISOVALERIC ACID	I	6APR	0.73
IVA	ISOVALERIC ACID	A	2D63	0.73
MCR	SULFANYLACETIC ACID	A,B	1T0S	0.73
MCR	SULFANYLACETIC ACID	A,B	1T0Q	0.73
MCR	SULFANYLACETIC ACID	C,D,G,H	1NU7	0.73
MCR	SULFANYLACETIC ACID	B,C,E,F	1NU9	0.73
ALQ	2-METHYL-PROPIONIC ACID	C,D	1FKN	0.8
ALQ	2-METHYL-PROPIONIC ACID	C,D	2ZHR	0.8
ALQ	2-METHYL-PROPIONIC ACID	A	1IUP	0.8
ALQ	2-METHYL-PROPIONIC ACID	C,D	1M4H	0.8
ALQ	2-METHYL-PROPIONIC ACID	A	1R6N	0.8
ALQ	2-METHYL-PROPIONIC ACID	E,F,G,H	1XN2	0.8
313	(dimethyl-lambda~4~-sulfanyl)acetic acid	A,B,C,D	3CHG	0.75