BioLiP

PDB

BioLiP

PDB CCD ID:

E6Q

Number of entries in BioLiP:

Chemical formula:

C16 H10 N2 O

InChI:

InChI=1S/C16H10N2O/c19-16-14-11(8-18-16)6-7-12-13(9-17-15(12)14)10-4-2-1-3-5-10/h1-9,17H

InChIKey:

YJGNZVVUIPDSRL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4
CACTVS 3.385	O=C1N=Cc2ccc3c([nH]cc3c4ccccc4)c12

Name:

3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

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).