BioLiP

PDB

BioLiP

PDB CCD ID:

UH3

Number of entries in BioLiP:

Chemical formula:

C14 H12 N4 O2

InChI:

InChI=1S/C14H12N4O2/c1-7-12(17-6-16-7)5-10-9-4-8(13(15)19)2-3-11(9)18-14(10)20/h2-6H,1H3,(H2,15,19)(H,16,17)(H,18,20)

InChIKey:

NQRCNELXESTXEP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nc[nH]c1\C=C2/C(=O)Nc3ccc(cc23)C(N)=O
CACTVS 3.385	Cc1nc[nH]c1C=C2C(=O)Nc3ccc(cc23)C(N)=O
OpenEye OEToolkits 2.0.7	Cc1c([nH]cn1)/C=C\2/c3cc(ccc3NC2=O)C(=O)N
OpenEye OEToolkits 2.0.7	Cc1c([nH]cn1)C=C2c3cc(ccc3NC2=O)C(=O)N

Name:

(3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide

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).