SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O

InChI:

InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1

InChIKey:

UIKROCXWUNQSPJ-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN1[C@@H](CCC1=O)c2cccnc2
OpenEye OEToolkits 2.0.7	CN1C(CCC1=O)c2cccnc2
CACTVS 3.385	CN1[CH](CCC1=O)c2cccnc2

Name:

(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

ChEMBL:

ZINC:

ZINC000000402766

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).