BioLiP

PDB

BioLiP

PDB CCD ID:

04V

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O

InChI:

InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1

InChIKey:

VLJNHYLEOZPXFW-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=N)[C@@H]1CCCN1
OpenEye OEToolkits 1.9.2	C1CC(NC1)C(=N)O
OpenEye OEToolkits 1.9.2	[H]/N=C(/[C@@H]1CCCN1)\O
CACTVS 3.385	OC(=N)[CH]1CCCN1
ACDLabs 12.01	[N@H]=C(O)C1NCCC1

Name:

(2S)-pyrrolidine-2-carboximidic acid

ChEMBL:

CHEMBL1222059

ZINC:

ZINC000000391898

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).