BioLiP

PDB

BioLiP

PDB CCD ID:

A1D48

Number of entries in BioLiP:

Chemical formula:

C16 H11 N3 O2

InChI:

InChI=1S/C16H11N3O2/c20-14-3-1-2-12-15(14)10(16(21)19-12)6-9-4-5-11-13(7-9)18-8-17-11/h1-8,20H,(H,17,18)(H,19,21)/b10-6-

InChIKey:

SDUHFKYEVPUWDL-POHAHGRESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(c(c1)O)/C(=C/c3ccc4c(c3)nc[nH]4)/C(=O)N2
CACTVS 3.385	Oc1cccc2NC(=O)C(=Cc3ccc4[nH]cnc4c3)c12
OpenEye OEToolkits 2.0.7	c1cc2c(c(c1)O)C(=Cc3ccc4c(c3)nc[nH]4)C(=O)N2
CACTVS 3.385	Oc1cccc2NC(=O)\C(=C/c3ccc4[nH]cnc4c3)c12

Name:

(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one;
(Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-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).