SEQ2FUN

BioLiP

PDB CCD ID: M5E
Number of entries in BioLiP: 3
Chemical formula: C11 H15 N O
InChI: InChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11-/m0/s1
InChIKey: YPMHBZQROFTOSU-QWRGUYRKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(C2CCCN2)O
CACTVS 3.385O[CH]([CH]1CCCN1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O
CACTVS 3.385O[C@H]([C@@H]1CCCN1)c2ccccc2
Name:(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol
ZINC: ZINC000032007013
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).