BioLiP

PDB

BioLiP

PDB CCD ID:

A1I0O

Number of entries in BioLiP:

Chemical formula:

C8 H11 N3 O3

InChI:

InChI=1S/C8H11N3O3/c12-7(13)2-1-4-9-8(14)6-3-5-10-11-6/h3,5H,1-2,4H2,(H,9,14)(H,10,11)(H,12,13)

InChIKey:

TXDAWKRCWXQSRI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c[nH]nc1C(=O)NCCCC(=O)O
CACTVS 3.385	OC(=O)CCCNC(=O)c1cc[nH]n1

Name:

4-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic 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).