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BioLiP

PDB CCD ID: V9X
Number of entries in BioLiP: 2
Chemical formula: C11 H12 N2 O
InChI: InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14)
InChIKey: OTVHXWFANORBAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)CCC(=O)N
CACTVS 3.385NC(=O)CCc1c[nH]c2ccccc12
ACDLabs 12.01NC(=O)CCc1c[NH]c2ccccc21
Name:3-(1H-indol-3-yl)propanamide
ChEMBL: CHEMBL1338144
ZINC: ZINC000000192347
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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