SEQ2FUN

BioLiP

PDB CCD ID: NAM
Number of entries in BioLiP: 0
Chemical formula: C13 H14 N2 O
InChI: InChI=1S/C13H14N2O/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H2,15,16)/t12-/m0/s1
InChIKey: DGFMSNJYBBNHCX-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1cccc2ccccc12)C(N)=O
CACTVS 3.341N[CH](Cc1cccc2ccccc12)C(N)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2CC(C(=O)N)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2C[C@@H](C(=O)N)N
ACDLabs 10.04O=C(N)C(N)Cc2cccc1ccccc12
Name:NAM NAPTHYLAMINOALANINE
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).