BioLiP

PDB

BioLiP

PDB CCD ID:

D0I

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2CC[C@@](C2)(CO)c3ccccc3
CACTVS 3.385	OC[C]1(CCN(Cc2ccccc2)C1)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2CCC(C2)(CO)c3ccccc3
CACTVS 3.385	OC[C@]1(CCN(Cc2ccccc2)C1)c3ccccc3

Name:

[(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol

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).