SEQ2FUN

BioLiP

PDB CCD ID: RP8
Number of entries in BioLiP: 0
Chemical formula: C10 H11 N3
InChI: InChI=1S/C10H11N3/c11-6-7-2-1-3-9-8(7)4-5-10(12)13-9/h1-5H,6,11H2,(H2,12,13)
InChIKey: FRAGPLZAQYPMFF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c2ccc(nc2c1)N)CN
CACTVS 3.385NCc1cccc2nc(N)ccc12
ACDLabs 12.01n1c(ccc2c(cccc12)CN)N
Name:5-(aminomethyl)quinolin-2-amine
ZINC: ZINC000263620433
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).