BioLiP

PDB

BioLiP

PDB CCD ID:

A1B16

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O2

InChI:

InChI=1S/C12H14N2O2/c13-12(16)9-6-7-11(15)14(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,13,16)/t9-/m0/s1

InChIKey:

QUDHARAVDXCJDA-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)[C@H]1CCC(=O)N(C1)c2ccccc2
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)N2C[C@H](CCC2=O)C(=O)N
CACTVS 3.385	NC(=O)[CH]1CCC(=O)N(C1)c2ccccc2
ACDLabs 14.52	NC(=O)C1CCC(=O)N(C1)c1ccccc1
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)N2CC(CCC2=O)C(=O)N

Name:

(3S)-6-oxo-1-phenylpiperidine-3-carboxamide

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).