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BioLiP Library

PDB CCD ID: D0I
Number of entries in BioLiP: 4
Chemical formula: C18 H21 N O
InChI: InChI=1S/C18H21NO/c20-15-18(17-9-5-2-6-10-17)11-12-19(14-18)13-16-7-3-1-4-8-16/h1-10,20H,11-15H2/t18-/m1/s1
InChIKey: SEKWWCPJXPJZKJ-GOSISDBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN2CC[C@@](C2)(CO)c3ccccc3
CACTVS 3.385OC[C]1(CCN(Cc2ccccc2)C1)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN2CCC(C2)(CO)c3ccccc3
CACTVS 3.385OC[C@]1(CCN(Cc2ccccc2)C1)c3ccccc3
Name:[(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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