BioLiP

PDB

BioLiP

PDB CCD ID:

G60

Number of entries in BioLiP:

Chemical formula:

C11 H13 Cl N2

InChI:

InChI=1S/C11H13ClN2/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3

InChIKey:

PPPQHAMKVHECAL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c2cc(ccc2[nH]1)Cl)CCN
CACTVS 3.385	Cc1[nH]c2ccc(Cl)cc2c1CCN

Name:

2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine

ZINC:

ZINC000000129247

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).