BioLiP

PDB

BioLiP

PDB CCD ID:

PO0

Number of entries in BioLiP:

Chemical formula:

C10 H15 N

InChI:

InChI=1S/C10H15N/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8,11H2,1H3/t10-/m1/s1

InChIKey:

IOLQWLOHKZENDW-SNVBAGLBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC[C@@H](N)Cc1ccccc1
OpenEye OEToolkits 1.5.0	CCC(Cc1ccccc1)N
OpenEye OEToolkits 1.5.0	CC[C@H](Cc1ccccc1)N
CACTVS 3.341	CC[CH](N)Cc1ccccc1
ACDLabs 10.04	NC(Cc1ccccc1)CC

Name:

1-BENZYL-(R)-PROPYLAMINE

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).