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BioLiP

PDB CCD ID: 1MH
Number of entries in BioLiP: 0
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
InChIKey: DFZVZEMNPGABKO-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](Cc1cccnc1)C(O)=O
CACTVS 3.370N[C@@H](Cc1cccnc1)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1cccnc1
OpenEye OEToolkits 1.7.6c1cc(cnc1)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6c1cc(cnc1)CC(C(=O)O)N
Name:3-pyridin-3-yl-L-alanine
ChEMBL: CHEMBL4242404
ZINC: ZINC000004222893
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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