BioLiP

PDB

BioLiP

PDB CCD ID:

0AO

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O

InChI:

InChI=1S/C13H13NO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9,12H,8,14H2/t12-/m0/s1

InChIKey:

VDSBYCKQQBUKLD-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)cccc2C[C@@H](C=O)N
CACTVS 3.341	N[CH](Cc1cccc2ccccc12)C=O
ACDLabs 10.04	O=CC(N)Cc2cccc1ccccc12
CACTVS 3.341	N[C@@H](Cc1cccc2ccccc12)C=O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)cccc2CC(C=O)N

Name:

(2S)-2-amino-3-naphthalen-1-ylpropanal

ZINC:

ZINC000101279165

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).