BioLiP

PDB

BioLiP

PDB CCD ID:

VOE

Number of entries in BioLiP:

Chemical formula:

C10 H15 N

InChI:

InChI=1S/C10H15N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3/t9-/m0/s1

InChIKey:

PLWALTDUYKDGRF-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC[C@@H](CN)c1ccccc1
ACDLabs 12.01	NCC(CC)c1ccccc1
CACTVS 3.385	CC[CH](CN)c1ccccc1
OpenEye OEToolkits 2.0.7	CCC(CN)c1ccccc1

Name:

(2R)-2-phenylbutan-1-amine

ZINC:

ZINC000001598924

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).