BioLiP

PDB

BioLiP

PDB CCD ID:

Q1Q

Number of entries in BioLiP:

Chemical formula:

C14 H15 N3

InChI:

InChI=1S/C14H15N3/c15-12-6-7-13-11(8-12)9-16-14(17-13)10-4-2-1-3-5-10/h1-5,9,12H,6-8,15H2/t12-/m1/s1

InChIKey:

DBOFAIZAMCFPNL-GFCCVEGCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ncc3c(n2)CC[C@H](C3)N
CACTVS 3.385	N[C@@H]1CCc2nc(ncc2C1)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ncc3c(n2)CCC(C3)N
CACTVS 3.385	N[CH]1CCc2nc(ncc2C1)c3ccccc3

Name:

(6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine

ZINC:

ZINC000020286073

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).