BioLiP

PDB

BioLiP

PDB CCD ID:

KLF

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O2

InChI:

InChI=1S/C5H10N2O2/c6-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4+/m1/s1

InChIKey:

OJSXAYGYRGXDSQ-DMTCNVIQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C(CNC1C(=O)N)O
OpenEye OEToolkits 2.0.7	C1[C@H](CN[C@@H]1C(=O)N)O
CACTVS 3.385	NC(=O)[C@@H]1C[C@@H](O)CN1
CACTVS 3.385	NC(=O)[CH]1C[CH](O)CN1

Name:

(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide

ZINC:

ZINC000082068168

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).