SEQ2FUN

BioLiP

PDB CCD ID: VYM
Number of entries in BioLiP: 1
Chemical formula: C13 H16 N2 O
InChI: InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2
InChIKey: ZNDAWHMDCROZJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(C1CC1)(=O)N3CCCc2ccc(cc23)N
OpenEye OEToolkits 2.0.7c1cc2c(cc1N)N(CCC2)C(=O)C3CC3
CACTVS 3.385Nc1ccc2CCCN(C(=O)C3CC3)c2c1
Name:(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone
ChEMBL: CHEMBL3356573
ZINC: ZINC000011847708
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).