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BioLiP

PDB CCD ID: XCG
Number of entries in BioLiP: 10
Chemical formula: C11 H8 N2 O
InChI: InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)
InChIKey: VBFQIUOSXHUWCT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1ccnc1c3oc2ccccc2c3
OpenEye OEToolkits 1.6.1c1ccc2c(c1)cc(o2)c3[nH]ccn3
CACTVS 3.352[nH]1ccnc1c2oc3ccccc3c2
Name:2-(2-BENZOFURANYL)-2-IMIDAZOLINE
ChEMBL: CHEMBL151697
ZINC: ZINC000000017887
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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