SEQ2FUN

BioLiP

PDB CCD ID: A1BXF
Number of entries in BioLiP: 1
Chemical formula: C10 H8 Cl2 N2
InChI: InChI=1S/C10H8Cl2N2/c1-5-4-8(13)6-2-3-7(11)9(12)10(6)14-5/h2-4H,1H3,(H2,13,14)
InChIKey: YOXFYSBUBIJKKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(N)c2ccc(Cl)c(Cl)c2n1
OpenEye OEToolkits 3.1.0.0Cc1cc(c2ccc(c(c2n1)Cl)Cl)N
ACDLabs 14.52Clc1c(Cl)ccc2c(N)cc(C)nc12
Name:7,8-dichloro-2-methylquinolin-4-amine
ChEMBL: CHEMBL5607512
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).