SEQ2FUN

BioLiP

PDB CCD ID: RTX
Number of entries in BioLiP: 1
Chemical formula: C20 H25 Cl N2 O
InChI: InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
InChIKey: GYBXAGDWMCJZJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl
CACTVS 3.385CCN(CC)CCCCN1c2ccccc2Oc3ccc(Cl)cc13
ACDLabs 12.01Clc2cc1N(c3c(Oc1cc2)cccc3)CCCCN(CC)CC
Name:4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine;
10-DEBC
ChEMBL: CHEMBL1398474
ZINC: ZINC000013831231
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).