BioLiP

PDB

BioLiP

PDB CCD ID:

4E1

Number of entries in BioLiP:

Chemical formula:

C16 H9 I N2 O2

InChI:

InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)

InChIKey:

SDRAETFVRBBLOB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c32c1nc4c(c1c(nc2cccc3)C(O)=O)cccc4I
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O
CACTVS 3.385	OC(=O)c1nc2ccccc2c3[nH]c4c(I)cccc4c13

Name:

10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

ChEMBL:

CHEMBL3589662

ZINC:

ZINC000230506524

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).