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BioLiP

PDB CCD ID: RE3
Number of entries in BioLiP: 0
Chemical formula: C11 H12 N2 O4
InChI: InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11-/m0/s1
InChIKey: BZRCOYDQHJWPQZ-CPCISQLKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O
OpenEye OEToolkits 1.7.0c1ccc2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O
CACTVS 3.370N[C@@H](C[C@@]1(O)C(=O)Nc2ccccc12)C(O)=O
ACDLabs 12.01O=C(O)C(N)CC2(O)c1ccccc1NC2=O
Name:3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
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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