SEQ2FUN

BioLiP

PDB CCD ID: ORR
Number of entries in BioLiP: 1
Chemical formula: C16 H16 Cl N3 O
InChI: InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-6-2-5-13-14(18)9-19-10-15(13)20/h1,3-4,7,9-10H,2,5-6,8,18H2
InChIKey: KFDIFJWRZNKQEO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)CC(=O)N2CCCc3c2cncc3N
CACTVS 3.385Nc1cncc2N(CCCc12)C(=O)Cc3cccc(Cl)c3
ACDLabs 12.01Clc1cccc(c1)CC(=O)N1CCCc2c1cncc2N
Name:1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one
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).