SEQ2FUN

BioLiP

PDB CCD ID: OUA
Number of entries in BioLiP: 12
Chemical formula: C16 H16 N4
InChI: InChI=1S/C16H16N4/c1-10-4-16(18)20-15-6-12(2-3-14(10)15)13-5-11(7-17)8-19-9-13/h2-6,8-9H,7,17H2,1H3,(H2,18,20)
InChIKey: HOBAPTQHAPAEBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N
ACDLabs 12.01Cc3c2ccc(c1cc(CN)cnc1)cc2nc(c3)N
CACTVS 3.385Cc1cc(N)nc2cc(ccc12)c3cncc(CN)c3
Name:7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine
ChEMBL: CHEMBL4598341
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).