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BioLiP

PDB CCD ID: N9P
Number of entries in BioLiP: 0
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
InChIKey: FQFVANSXYKWQOT-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnccc1C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](Cc1ccncc1)C(O)=O
ACDLabs 12.01NC(C(=O)O)Cc1ccncc1
CACTVS 3.385N[C@@H](Cc1ccncc1)C(O)=O
OpenEye OEToolkits 2.0.7c1cnccc1CC(C(=O)O)N
Name:3-pyridin-4-yl-L-alanine
ChEMBL: CHEMBL4249170
ZINC: ZINC000002385772
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).
  • 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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