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BioLiP

PDB CCD ID: 6M8
Number of entries in BioLiP: 2
Chemical formula: C20 H23 N3 O
InChI: InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
InChIKey: TTZAIJYOUAIUID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
OpenEye OEToolkits 1.7.6CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N
Name:7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
ChEMBL: CHEMBL3736583
ZINC: ZINC000263621067
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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