BioLiP

PDB

BioLiP

PDB CCD ID:

EQ2

Number of entries in BioLiP:

Chemical formula:

C14 H10 N2 O3

InChI:

InChI=1S/C14H10N2O3/c1-7(17)12-13-9(6-11(16-12)14(18)19)8-4-2-3-5-10(8)15-13/h2-6,15H,1H3,(H,18,19)

InChIKey:

RMLMLEMGHAUXDM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)c1nc(cc2c1[nH]c3ccccc23)C(O)=O
OpenEye OEToolkits 2.0.6	CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2

Name:

1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid

ChEMBL:

CHEMBL1682930

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).