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BioLiP

PDB CCD ID: Z5I
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N O2
InChI: InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
InChIKey: PLVPPLCLBIEYEA-AATRIKPKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)C=CC(=O)O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)/C=C/C(=O)O
CACTVS 3.385OC(=O)C=Cc1c[nH]c2ccccc12
CACTVS 3.385OC(=O)\C=C\c1c[nH]c2ccccc12
Name:(~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic 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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