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BioLiP Library

PDB CCD ID: ALN
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1cccc2ccccc12)C(O)=O
CACTVS 3.341N[CH](Cc1cccc2ccccc12)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc2cccc1ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2C[C@@H](C(=O)O)N
Name:NAPHTHALEN-2-YL-3-ALANINE
DrugBank: DB07365
ZINC: ZINC000000391807
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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