SEQ2FUN

BioLiP

PDB CCD ID: XXE
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N2 O2
InChI: InChI=1S/C10H8N2O2/c13-10(14)9-7-8(3-4-11-9)12-5-1-2-6-12/h1-7H,(H,13,14)
InChIKey: WGDPWMLPQRTMBY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc(ccn1)n2cccc2
CACTVS 3.385OC(=O)c1cc(ccn1)n2cccc2
OpenEye OEToolkits 2.0.6c1ccn(c1)c2ccnc(c2)C(=O)O
Name:4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid
ZINC: ZINC000002456188
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).