SEQ2FUN

BioLiP

PDB CCD ID: HNH
Number of entries in BioLiP: 1
Chemical formula: C10 H12 N2 O
InChI: InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)
InChIKey: LWGKCPAYDQWMMS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2cc(C1=CCCN1C)ccc2O
CACTVS 3.370CN1CCC=C1c2ccc(O)nc2
OpenEye OEToolkits 1.7.0CN1CCC=C1c2ccc(nc2)O
Name:5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;
6-hydroxy-N-Methyl-myosmine
ZINC: ZINC000103545014
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).