SEQ2FUN

BioLiP

PDB CCD ID: CLQ
Number of entries in BioLiP: 14
Chemical formula: C18 H26 Cl N3
InChI: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKey: WHTVZRBIWZFKQO-CQSZACIVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl
CACTVS 3.341CCN(CC)CCC[CH](C)Nc1ccnc2cc(Cl)ccc12
CACTVS 3.341CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12
OpenEye OEToolkits 1.5.0CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl
ACDLabs 10.04Clc1cc2nccc(c2cc1)NC(C)CCCN(CC)CC
Name:N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE;
CHLOROQUINE
ChEMBL: CHEMBL252715
ZINC: ZINC000019144226
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).