BioLiP

PDB

BioLiP

PDB CCD ID:

W3V

Number of entries in BioLiP:

Chemical formula:

C7 H12 N2 O3

InChI:

InChI=1S/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)

InChIKey:

SIYQEPJUSPTPGW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N1(CCC(CC1)C(O)=O)C(N)=O
OpenEye OEToolkits 2.0.7	C1CN(CCC1C(=O)O)C(=O)N
CACTVS 3.385	NC(=O)N1CCC(CC1)C(O)=O

Name:

1-carbamoylpiperidine-4-carboxylic acid

ZINC:

ZINC000004206640

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).