BioLiP

PDB

BioLiP

PDB CCD ID:

T4C

Number of entries in BioLiP:

Chemical formula:

C15 H10 Cl N O2

InChI:

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

InChIKey:

QSVCYCVGLSKBCQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2cc(cc3c2cc[nH]3)C(=O)O)Cl
CACTVS 3.385	OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)cc3

Name:

4-(4-chlorophenyl)-1~{H}-indole-6-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).