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BioLiP

PDB CCD ID: 8P3
Number of entries in BioLiP: 4
Chemical formula: C16 H13 N O3
InChI: InChI=1S/C16H13NO3/c18-15-9-11-5-2-4-8-14(11)17(15)10-12-6-1-3-7-13(12)16(19)20/h1-8H,9-10H2,(H,19,20)
InChIKey: UJOFLRHFFVIBEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccccc1CN2C(=O)Cc3ccccc23
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O
ACDLabs 12.01O=C(O)c1ccccc1CN3c2ccccc2CC3=O
Name:2-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]benzoic acid
ZINC: ZINC000035415315
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)(download the PDF file).
  • 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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