SEQ2FUN

BioLiP

PDB CCD ID: A1BDL
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h1-8H,9H2
InChIKey: PJVWPGGKILHMKW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccn(c1)Cc2cccnc2
CACTVS 3.385C(n1cccc1)c2cccnc2
ACDLabs 14.52n1cc(Cn2cccc2)ccc1
Name:3-[(1H-pyrrol-1-yl)methyl]pyridine
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).