BioLiP

PDB

BioLiP

PDB CCD ID:

A1E4P

Number of entries in BioLiP:

Chemical formula:

C10 H8 Cl N O2

InChI:

InChI=1S/C10H8ClNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)

InChIKey:

LSDWHXDEMCMQHP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1c([nH]c2ccc(Cl)cc12)C(O)=O
OpenEye OEToolkits 2.0.7	Cc1c2cc(ccc2[nH]c1C(=O)O)Cl

Name:

5-chloranyl-3-methyl-1~{H}-indole-2-carboxylic 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).