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BioLiP

PDB CCD ID: XRA
Number of entries in BioLiP: 3
Chemical formula: C19 H21 N5 O4
InChI: InChI=1S/C19H21N5O4/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/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
InChIKey: IENZQIKPVFGBNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)c4occc4
OpenEye OEToolkits 1.7.0COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
CACTVS 3.370COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4
Name:2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine;
Prazosin
ChEMBL: CHEMBL2
DrugBank: DB00457
ZINC: ZINC000095616601
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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