BioLiP

PDB

BioLiP

PDB CCD ID:

A1A3M

Number of entries in BioLiP:

Chemical formula:

C4 H6 N2 O2

InChI:

InChI=1S/C4H6N2O2/c7-4(8)3-1-2-5-6-3/h2-3,6H,1H2,(H,7,8)/t3-/m0/s1

InChIKey:

XURCTOYGFOIZLA-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CC=NN1
CACTVS 3.385	OC(=O)[C@@H]1CC=NN1
ACDLabs 14.52	O=C(O)C1CC=NN1
OpenEye OEToolkits 2.0.7	C1C=NN[C@@H]1C(=O)O
OpenEye OEToolkits 2.0.7	C1C=NNC1C(=O)O

Name:

(5S)-4,5-dihydro-1H-pyrazole-5-carboxylic acid

ChEMBL:

CHEMBL3786541

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).