BioLiP

PDB

BioLiP

PDB CCD ID:

81B

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O3

InChI:

InChI=1S/C7H11NO3/c9-6(7(10)11)8-5-3-1-2-4-5/h5H,1-4H2,(H,8,9)(H,10,11)

InChIKey:

XYYFQOQNHIZVBG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C(=O)NC1CCCC1
OpenEye OEToolkits 2.0.6	C1CCC(C1)NC(=O)C(=O)O
ACDLabs 12.01	C(O)(C(NC1CCCC1)=O)=O

Name:

(cyclopentylamino)(oxo)acetic acid

ZINC:

ZINC000019092854

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).