BioLiP

PDB

BioLiP

PDB CCD ID:

3N4

Number of entries in BioLiP:

Chemical formula:

C14 H10 O2 S

InChI:

InChI=1S/C14H10O2S/c15-13(16)7-10-8-17-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-6,8H,7H2,(H,15,16)

InChIKey:

SGZIYCCHNHOYKN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O
ACDLabs 12.01	O=C(O)Cc1c3c(sc1)ccc2ccccc23
CACTVS 3.370	OC(=O)Cc1csc2ccc3ccccc3c12

Name:

naphtho[2,1-b]thiophen-1-ylacetic acid

ZINC:

ZINC000058638452

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).