SEQ2FUN

BioLiP

PDB CCD ID: SB9
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O2
InChI: InChI=1S/C10H14N2O2/c1-9-4-2-5-10(11-9)6-3-7-12(14)8-13/h2,4-5,8,14H,3,6-7H2,1H3
InChIKey: FJYUGRZKJXCRFF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(n1)CCCN(C=O)O
CACTVS 3.341Cc1cccc(CCCN(O)C=O)n1
ACDLabs 10.04O=CN(O)CCCc1nc(ccc1)C
Name:HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE;
SB-505684
DrugBank: DB08525
ZINC: ZINC000014976920
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).