BioLiP

PDB

BioLiP

PDB CCD ID:

7UZ

Number of entries in BioLiP:

Chemical formula:

C10 H16 O4

InChI:

InChI=1S/C10H16O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)(H,13,14)

InChIKey:

PYKSXWASTAWCSS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1CCC(CC1)CC(C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)C(CC1CCCCC1)C(O)=O
ACDLabs 12.01	O=C(O)C(C(=O)O)CC1CCCCC1

Name:

2-(cyclohexylmethyl)propanedioic acid

ZINC:

ZINC000000156783

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).