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BioLiP

PDB CCD ID: QV2
Number of entries in BioLiP: 7
Chemical formula: C19 H20 N4 O2
InChI: InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)
InChIKey: FDNVTCDQGOVLPM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C(N3)CCCC5=O
Name:2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
ChEMBL: CHEMBL1347128
ZINC: ZINC000006498864
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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