BioLiP

PDB

BioLiP

PDB CCD ID:

ALN

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O2

InChI:

InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1

InChIKey:

OFYAYGJCPXRNBL-LBPRGKRZSA-N

SMILES:

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

Name:

NAPHTHALEN-2-YL-3-ALANINE

DrugBank:

DB07365

ZINC:

ZINC000000391807

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).