BioLiP

PDB

BioLiP

PDB CCD ID:

A1L2U

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O3

InChI:

InChI=1S/C11H20N2O3/c12-7-3-1-2-6-10(14)13-8-4-5-9(13)11(15)16/h9H,1-8,12H2,(H,15,16)/t9-/m1/s1

InChIKey:

QNBNDBVJPAQODD-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCCCCC(=O)N1CCC[C@@H]1C(O)=O
OpenEye OEToolkits 2.0.7	C1CC(N(C1)C(=O)CCCCCN)C(=O)O
CACTVS 3.385	NCCCCCC(=O)N1CCC[CH]1C(O)=O

Name:

1-(6-azanylhexanoyl)pyrrolidine-2-carboxylic acid

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).