BioLiP

PDB

BioLiP

PDB CCD ID:

A1CUW

Number of entries in BioLiP:

Chemical formula:

C16 H21 F N2 O

InChI:

InChI=1S/C16H21FN2O/c1-19-13-6-7-14(19)10-12(9-13)18-16(20)8-11-4-2-3-5-15(11)17/h2-5,12-14H,6-10H2,1H3,(H,18,20)/t12-,13-,14+

InChIKey:

WSKHBFGUDAWDLB-ZSOGYDGISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)Cc3ccccc3F
ACDLabs 14.52	CN1C2CCC1CC(C2)NC(=O)Cc1ccccc1F
CACTVS 3.385	CN1[CH]2CC[CH]1C[CH](C2)NC(=O)Cc3ccccc3F
OpenEye OEToolkits 3.1.0.0	CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)Cc3ccccc3F
OpenEye OEToolkits 3.1.0.0	CN1C2CCC1CC(C2)NC(=O)Cc3ccccc3F

Name:

2-(2-fluorophenyl)-N-[(1R,3s,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide

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).