BioLiP

PDB

BioLiP

PDB CCD ID:

KF8

Number of entries in BioLiP:

Chemical formula:

C12 H16 N2 O

InChI:

InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m0/s1

InChIKey:

ZFLKDMGBVZHBAC-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)N[C@H]2CCCNC2
ACDLabs 12.01	O=C(NC1CCCNC1)c1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)NC2CCCNC2
CACTVS 3.385	O=C(N[CH]1CCCNC1)c2ccccc2
CACTVS 3.385	O=C(N[C@H]1CCCNC1)c2ccccc2

Name:

N-[(3S)-piperidin-3-yl]benzamide

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).