SEQ2FUN

BioLiP

PDB CCD ID: OUG
Number of entries in BioLiP: 8
Chemical formula: C17 H17 N3
InChI: InChI=1S/C17H17N3/c1-11-7-17(19)20-16-9-14(5-6-15(11)16)13-4-2-3-12(8-13)10-18/h2-9H,10,18H2,1H3,(H2,19,20)
InChIKey: IYZDGTYWMCMPLR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c31c(c(C)cc(N)n1)ccc(c2cc(ccc2)CN)c3
CACTVS 3.385Cc1cc(N)nc2cc(ccc12)c3cccc(CN)c3
OpenEye OEToolkits 2.0.7Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N
Name:7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine
ChEMBL: CHEMBL4598339
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).