BioLiP

PDB

BioLiP

PDB CCD ID:

A1CX8

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O

InChI:

InChI=1S/C8H17NO/c1-7-3-2-4-8(7)9-5-6-10/h7-10H,2-6H2,1H3/t7-,8-/m1/s1

InChIKey:

VZZLRLOGBIIRNV-HTQZYQBOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1CCC[CH]1NCCO
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	C[C@@H]1CCC[C@H]1NCCO
OpenEye OEToolkits 3.1.0.0	CC1CCCC1NCCO
ACDLabs 14.52	OCCNC1CCCC1C

Name:

2-{[(1R,2R)-2-methylcyclopentyl]amino}ethan-1-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).