BioLiP

PDB

BioLiP

PDB CCD ID:

WH4

Number of entries in BioLiP:

Chemical formula:

C8 H12 N2

InChI:

InChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3

InChIKey:

KJSHRGNATIWUSZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(C)Nc1cccnc1
ACDLabs 12.01	n1cc(ccc1)NC(C)C

Name:

N-(propan-2-yl)pyridin-3-amine

ZINC:

ZINC000000331954

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).