BioLiP

PDB

BioLiP

PDB CCD ID:

TZN

Number of entries in BioLiP:

Chemical formula:

C19 H25 N5 O4

InChI:

InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)/t14-/m1/s1

InChIKey:

VCKUSRYTPJJLNI-CQSZACIVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)C4CCCO4
OpenEye OEToolkits 1.7.6	COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@H]4CCCO4
CACTVS 3.385	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[CH]4CCCO4
CACTVS 3.385	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[C@H]4CCCO4
ACDLabs 12.01	O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)C4OCCC4

Name:

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone;
Terazosin

ChEMBL:

CHEMBL1481149

ZINC:

ZINC000095616600

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).