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BioLiP

PDB CCD ID: 3IL
Number of entries in BioLiP: 5
Chemical formula: C11 H11 N O3
InChI: InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1
InChIKey: XGILAAMKEQUXLS-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH](Cc1c[nH]c2ccccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O
CACTVS 3.341O[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)O
ACDLabs 10.04O=C(O)C(O)Cc2c1ccccc1nc2
Name:3-(INDOL-3-YL) LACTATE;
(2S)-2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID
DrugBank: DB07060
ZINC: ZINC000000039098
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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