BioLiP

PDB

BioLiP

PDB CCD ID:

YQI

Number of entries in BioLiP:

Chemical formula:

C8 H11 N3 O3

InChI:

InChI=1S/C8H11N3O3/c1-2-5(8(13)14)10-7(12)6-3-4-9-11-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t5-/m0/s1

InChIKey:

ASNWLZWZIDHNOQ-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[CH](NC(=O)c1cc[nH]n1)C(O)=O
OpenEye OEToolkits 2.0.7	CC[C@@H](C(=O)O)NC(=O)c1cc[nH]n1
OpenEye OEToolkits 2.0.7	CCC(C(=O)O)NC(=O)c1cc[nH]n1
CACTVS 3.385	CC[C@H](NC(=O)c1cc[nH]n1)C(O)=O

Name:

(2~{S})-2-(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).