BioLiP

PDB

BioLiP

PDB CCD ID:

V5K

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2 O2

InChI:

InChI=1S/C7H10N2O2/c1-5(2)11-7(10)6-3-4-8-9-6/h3-5H,1-2H3,(H,8,9)

InChIKey:

CBQRTLFASQYWAJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(C)OC(=O)c1cc[nH]n1

Name:

propan-2-yl 1~{H}-pyrazole-3-carboxylate

ZINC:

ZINC000039057745

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).