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BioLiP

PDB CCD ID: SRK
Number of entries in BioLiP: 2
Chemical formula: C12 H13 N O3
InChI: InChI=1S/C12H13NO3/c14-11(5-6-12(15)16)13-8-7-9-3-1-2-4-10(9)13/h1-4H,5-8H2,(H,15,16)
InChIKey: SWNRXQYQTQVWKA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCC(=O)N1CCc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCN2C(=O)CCC(=O)O
Name:4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid
ChEMBL: CHEMBL357516
ZINC: ZINC000000143134
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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