BioLiP

PDB

BioLiP

PDB CCD ID:

T2F

Number of entries in BioLiP:

Chemical formula:

C16 H12 Cl N O2

InChI:

InChI=1S/C16H12ClNO2/c1-9-13(16(19)20)8-14(12-6-7-18-15(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3,(H,19,20)

InChIKey:

HXZMDXUYYVDPRW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)O
CACTVS 3.385	Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3

Name:

4-(4-chlorophenyl)-7-methyl-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).