SEQ2FUN

BioLiP

PDB CCD ID: HNK
Number of entries in BioLiP: 3
Chemical formula: C10 H14 N2 O
InChI: InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m1/s1
InChIKey: ATRCOGLZUCICIV-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CN1CCCC1c2ccc(nc2)O
CACTVS 3.370CN1CCC[C@@H]1c2ccc(O)nc2
CACTVS 3.370CN1CCC[CH]1c2ccc(O)nc2
OpenEye OEToolkits 1.7.0C[N@]1CCC[C@@H]1c2ccc(nc2)O
ACDLabs 12.01n1cc(ccc1O)C2N(C)CCC2
Name:5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol;
6-hydroxy-D-nicotine
ZINC: ZINC000008622520
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).