BioLiP

PDB

BioLiP

PDB CCD ID:

GKF

Number of entries in BioLiP:

Chemical formula:

C8 H5 I N2 O

InChI:

InChI=1S/C8H5IN2O/c9-8-6-3-1-2-5(4-12)7(6)10-11-8/h1-4H,(H,10,11)

InChIKey:

QWWAONJINWEHJL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c2c(c1)c(n[nH]2)I)C=O
CACTVS 3.385	Ic1n[nH]c2c(C=O)cccc12

Name:

3-iodanyl-1~{H}-indazole-7-carbaldehyde

ZINC:

ZINC000100720200

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).