BioLiP

PDB

BioLiP

PDB CCD ID:

82Q

Number of entries in BioLiP:

Chemical formula:

C23 H22 N2 O2

InChI:

InChI=1S/C23H22N2O2/c1-16(26)25-15-19(17-8-3-2-4-9-17)14-22(25)23(27)24-21-13-7-11-18-10-5-6-12-20(18)21/h2-13,19,22H,14-15H2,1H3,(H,24,27)/t19-,22+/m0/s1

InChIKey:

HXZFWDRYUUGFOU-SIKLNZKXSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N1C[C@H](C[C@@H]1C(=O)Nc2cccc3ccccc23)c4ccccc4
OpenEye OEToolkits 2.0.7	CC(=O)N1C[C@H](C[C@@H]1C(=O)Nc2cccc3c2cccc3)c4ccccc4
OpenEye OEToolkits 2.0.7	CC(=O)N1CC(CC1C(=O)Nc2cccc3c2cccc3)c4ccccc4
CACTVS 3.385	CC(=O)N1C[CH](C[CH]1C(=O)Nc2cccc3ccccc23)c4ccccc4

Name:

(2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide

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).