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BioLiP Library

PDB CCD ID: 91Q
Number of entries in BioLiP: 2
Chemical formula: C12 H16 N2 O
InChI: InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
InChIKey: SPCIYGNTAMCTRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)CCc1c[nH]c2cccc(O)c12
OpenEye OEToolkits 2.0.7CN(C)CCc1c[nH]c2c1c(ccc2)O
Name:3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol
ChEMBL: CHEMBL65547
ZINC: ZINC000000002001
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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