BioLiP

PDB

BioLiP

PDB CCD ID:

A1B3Z

Number of entries in BioLiP:

Chemical formula:

C15 H19 N3 O3

InChI:

InChI=1S/C15H19N3O3/c16-14(20)11-5-3-7-18(9-11)13(19)8-10-4-1-2-6-12(10)15(17)21/h1-2,4,6,11H,3,5,7-9H2,(H2,16,20)(H2,17,21)/t11-/m0/s1

InChIKey:

KSEBAGNDQOTDCD-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccccc2C(N)=O
CACTVS 3.385	NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccccc2C(N)=O
OpenEye OEToolkits 3.1.0.0	c1ccc(c(c1)CC(=O)N2CCCC(C2)C(=O)N)C(=O)N
OpenEye OEToolkits 3.1.0.0	c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)C(=O)N
ACDLabs 14.52	O=C(Cc1ccccc1C(N)=O)N1CCCC(C1)C(N)=O

Name:

(3S)-1-[(2-carbamoylphenyl)acetyl]piperidine-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).