SEQ2FUN

BioLiP

PDB CCD ID: KKU
Number of entries in BioLiP: 8
Chemical formula: C10 H17 N3
InChI: InChI=1S/C10H17N3/c1-8-6-9(4-3-5-12-2)13-10(11)7-8/h6-7,12H,3-5H2,1-2H3,(H2,11,13)
InChIKey: MOHLCKRYTZYOGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNCCCc1cc(C)cc(N)n1
OpenEye OEToolkits 2.0.7Cc1cc(nc(c1)N)CCCNC
ACDLabs 12.01Cc1cc(CCCNC)nc(N)c1
Name:4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine
ChEMBL: CHEMBL5191295
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).