BioLiP

PDB

BioLiP

PDB CCD ID:

VIW

Number of entries in BioLiP:

Chemical formula:

C18 H15 N3 O2

InChI:

InChI=1S/C18H15N3O2/c19-10-14-12(5-3-6-16(14)20)15-11-21(9-8-18(22)23)17-7-2-1-4-13(15)17/h1-7,11H,8-9,20H2,(H,22,23)

InChIKey:

BKQXGEWLSIEDTQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(cn2CCC(=O)O)c3cccc(c3C#N)N
CACTVS 3.385	Nc1cccc(c2cn(CCC(O)=O)c3ccccc23)c1C#N

Name:

3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid

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).