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BioLiP

PDB CCD ID: BP5
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N3 O2
InChI: InChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)/t10-/m0/s1
InChIKey: VWTQURBMIRJISI-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[C@@H](Cc1ccc(nc1)c2ccccn2)C(O)=O
CACTVS 3.370N[CH](Cc1ccc(nc1)c2ccccn2)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc2cnc(c1ncccc1)cc2
OpenEye OEToolkits 1.7.6c1ccnc(c1)c2ccc(cn2)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N
Name:3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE
ZINC: ZINC000016052406
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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