BioLiP

PDB

BioLiP

PDB CCD ID:

4QV

Number of entries in BioLiP:

Chemical formula:

C14 H10 N4 O2

InChI:

InChI=1S/C14H10N4O2/c19-8-5-6-12-11(7-8)17-14(20)18(12)13-15-9-3-1-2-4-10(9)16-13/h1-7,19H,(H,15,16)(H,17,20)

InChIKey:

YOEAQWYCBDUGQE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc2N(C(=O)Nc2c1)c3[nH]c4ccccc4n3
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O
ACDLabs 12.01	O=C1N(c2c(N1)cc(cc2)O)c4nc3ccccc3n4

Name:

5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one

ChEMBL:

CHEMBL3949078

ZINC:

ZINC000584905058

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).