BioLiP

PDB

BioLiP

PDB CCD ID:

6WG

Number of entries in BioLiP:

Chemical formula:

C12 H15 N O

InChI:

InChI=1S/C12H15NO/c14-10-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t12-/m1/s1

InChIKey:

MUZIXORETQNNBG-GFCCVEGCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	c1ccc(cc1)[C@H]2CCCCN2C=O
CACTVS 3.385	O=CN1CCCC[C@@H]1c2ccccc2
CACTVS 3.385	O=CN1CCCC[CH]1c2ccccc2
OpenEye OEToolkits 2.0.5	c1ccc(cc1)C2CCCCN2C=O

Name:

(2~{R})-2-phenylpiperidine-1-carbaldehyde

ZINC:

ZINC000039235004

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).