SEQ2FUN

BioLiP

PDB CCD ID: A1CDQ
Number of entries in BioLiP: 3
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c12-9-6-11-7-10(9)13-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10+/m1/s1
InChIKey: KSSRVICONDWLSU-ZJUUUORDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[CH]1CNC[CH]1Oc2ccccc2
CACTVS 3.385O[C@@H]1CNC[C@@H]1Oc2ccccc2
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)O[C@H]2CNC[C@H]2O
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)OC2CNCC2O
ACDLabs 14.52OC1CNCC1Oc1ccccc1
Name:(3R,4S)-4-phenoxypyrrolidin-3-ol
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).