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BioLiP

PDB CCD ID: D80
Number of entries in BioLiP: 4
Chemical formula: C14 H15 N3 O
InChI: InChI=1S/C14H15N3O/c1-2-3-8-11-17-12-13(18-11)9-6-4-5-7-10(9)16-14(12)15/h4-7H,2-3,8H2,1H3,(H2,15,16)
InChIKey: XGNXMXDDPAAWFU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1ccccc1c3oc(nc3c2N)CCCC
CACTVS 3.385CCCCc1oc2c3ccccc3nc(N)c2n1
OpenEye OEToolkits 1.7.6CCCCc1nc2c(o1)c3ccccc3nc2N
Name:2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine
ZINC: ZINC000038813693
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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