BioLiP

PDB

BioLiP

PDB CCD ID:

A1IVR

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N2 O

InChI:

InChI=1S/C10H9ClN2O/c11-7-1-2-9-8(4-7)6(5-13-9)3-10(12)14/h1-2,4-5,13H,3H2,(H2,12,14)

InChIKey:

AEASRZZLNXUGPD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)c(c[nH]2)CC(=O)N
CACTVS 3.385	NC(=O)Cc1c[nH]c2ccc(Cl)cc12

Name:

2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide

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).