BioLiP

PDB

BioLiP

PDB CCD ID:

9JC

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 O2

InChI:

InChI=1S/C11H11N3O2/c12-5-6-4-9(11(15)16)14-10-7(6)2-1-3-8(10)13/h1-4H,5,12-13H2,(H,15,16)

InChIKey:

AMKRFCLMQBLGKF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc(nc2c(c1)N)C(=O)O)CN
CACTVS 3.385	NCc1cc(nc2c(N)cccc12)C(O)=O

Name:

4-(aminomethyl)-8-azanyl-quinoline-2-carbaldehyde

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).