SEQ2FUN

BioLiP

PDB CCD ID: OQC
Number of entries in BioLiP: 5
Chemical formula: C11 H10 Cl N O
InChI: InChI=1S/C11H10ClNO/c12-11-5-8(6-13)1-2-10(11)9-3-4-14-7-9/h1-5,7H,6,13H2
InChIKey: QCBBLYZCXYKKFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1CN)Cl)c2ccoc2
CACTVS 3.385NCc1ccc(c(Cl)c1)c2cocc2
Name:[3-chloranyl-4-(furan-3-yl)phenyl]methanamine
ChEMBL: CHEMBL4116165
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).