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BioLiP

PDB CCD ID: ZRI
Number of entries in BioLiP: 2
Chemical formula: C9 H9 N O2
InChI: InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m0/s1
InChIKey: ZFZMEVZZAIRAHE-BQBZGAKWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[CH]1C[CH]1c2ccccn2
CACTVS 3.385OC(=O)[C@H]1C[C@@H]1c2ccccn2
OpenEye OEToolkits 2.0.7c1ccnc(c1)[C@H]2C[C@@H]2C(=O)O
ACDLabs 12.01O=C(O)C1CC1c1ccccn1
OpenEye OEToolkits 2.0.7c1ccnc(c1)C2CC2C(=O)O
Name:(1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
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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