BioLiP

PDB

BioLiP

PDB CCD ID:

A1ID3

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O

InChI:

InChI=1S/C15H15N3O/c16-6-5-12-13-8-11(19)3-4-14(13)18-15(12)10-2-1-7-17-9-10/h1-4,7-9,18-19H,5-6,16H2

InChIKey:

CRBZVVVWGMWAMJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cnc1)c2c(c3cc(ccc3[nH]2)O)CCN
CACTVS 3.385	NCCc1c([nH]c2ccc(O)cc12)c3cccnc3

Name:

3-(2-azanylethyl)-2-pyridin-3-yl-1~{H}-indol-5-ol

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).