BioLiP

PDB

BioLiP

PDB CCD ID:

RP7

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O

InChI:

InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1

InChIKey:

GLDHZKQYHDFALD-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1CC=C[C@@H](C1)O
CACTVS 3.385	CN1CC=C[C@H](O)C1
CACTVS 3.385	CN1CC=C[CH](O)C1
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CN1CC=CC(C1)O

Name:

(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol

ChEMBL:

CHEMBL4743456

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).