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BioLiP

PDB CCD ID: M16
Number of entries in BioLiP: 22
Chemical formula: C18 H19 N3
InChI: InChI=1S/C18H19N3/c1-12-10-18(20)21-17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-19/h2-7,10-11H,8-9,19H2,1H3,(H2,20,21)
InChIKey: JQIPWXPQEFGIOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N
CACTVS 3.385Cc1cc(N)nc2cc(ccc12)c3ccc(CCN)cc3
ACDLabs 12.01NCCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2
Name:7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
ChEMBL: CHEMBL2097929
ZINC: ZINC000084741758
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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