BioLiP

PDB

BioLiP

PDB CCD ID:

KGE

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,5-9H,3-4H2/t5-,6+/m0/s1

InChIKey:

IIZFBLMFSCOJPJ-NTSWFWBYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C=CC(C(N1)CO)O
OpenEye OEToolkits 2.0.7	C1C=C[C@H]([C@@H](N1)CO)O
CACTVS 3.385	OC[CH]1NCC=C[CH]1O
CACTVS 3.385	OC[C@@H]1NCC=C[C@H]1O

Name:

(2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol

ChEMBL:

CHEMBL2011607

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).