SEQ2FUN

BioLiP

PDB CCD ID: 57Q
Number of entries in BioLiP: 1
Chemical formula: C17 H15 N O2
InChI: InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
InChIKey: CPWLVJORIJEUHI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCn1c2ccccc2cc1c3ccccc3
ACDLabs 12.01O=C(CCn1c(cc2c1cccc2)c3ccccc3)O
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O
Name:3-(2-phenyl-1H-indol-1-yl)propanoic acid
ChEMBL: CHEMBL1586017
ZINC: ZINC000000312117
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).