BioLiP

PDB

BioLiP

PDB CCD ID:

JBH

Number of entries in BioLiP:

Chemical formula:

C8 H8 N2 O

InChI:

InChI=1S/C8H8N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5,8,11H,(H,9,10)/t8-/m1/s1

InChIKey:

RFXUVQZRJWPTLS-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H]1NC=Nc2ccccc12
CACTVS 3.385	O[CH]1NC=Nc2ccccc12
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(NC=N2)O

Name:

3,4-dihydroquinazolin-4-ol

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).