BioLiP

PDB

BioLiP

PDB CCD ID:

A1IS6

Number of entries in BioLiP:

Chemical formula:

C15 H10 Cl N O2

InChI:

InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)13(14(17-12)15(18)19)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)

InChIKey:

WQRNPWUZAVBEBC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1[nH]c2ccc(Cl)cc2c1c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)O)Cl

Name:

5-chloranyl-3-phenyl-1H-indole-2-carboxylic acid

ChEMBL:

CHEMBL4756402

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).