SEQ2FUN

BioLiP

PDB CCD ID: A1CV5
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-12/h1-8,13H,9H2
InChIKey: QQXDXYAGEXWXQU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccn(c1)c2cccc(c2)CO
ACDLabs 14.52OCc1cccc(c1)n1cccc1
CACTVS 3.385OCc1cccc(c1)n2cccc2
Name:[3-(1H-pyrrol-1-yl)phenyl]methanol
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).