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BioLiP

PDB CCD ID: 87L
Number of entries in BioLiP: 2
Chemical formula: C12 H11 N O2
InChI: InChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)/t11-/m0/s1
InChIKey: FNRJAIIHCKGTCV-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(C(=O)O)n2cccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)[C@@H](C(=O)O)n2cccc2
CACTVS 3.385OC(=O)[CH](n1cccc1)c2ccccc2
CACTVS 3.385OC(=O)[C@@H](n1cccc1)c2ccccc2
Name:(2S)-2-phenyl-2-pyrrol-1-yl-ethanoic acid
ZINC: ZINC000000111684
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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