BioLiP

PDB

BioLiP

PDB CCD ID:

A1A39

Number of entries in BioLiP:

Chemical formula:

C10 H16 N4

InChI:

InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/s1

InChIKey:

QLSDWIHANVSIEK-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CNC1CCCN(C1)c2cccnn2
CACTVS 3.385	CN[CH]1CCCN(C1)c2cccnn2
ACDLabs 14.52	CNC1CCCN(C1)c1nnccc1
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CN[C@H]1CCCN(C1)c2cccnn2

Name:

(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine

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).