SEQ2FUN

BioLiP

PDB CCD ID: P13
Number of entries in BioLiP: 0
Chemical formula: C24 H33 N5 O
InChI: InChI=1S/C24H33N5O/c25-7-1-15-30-24-5-3-20(19-2-4-23-21(16-19)6-8-28-23)17-22(24)18-27-11-14-29-12-9-26-10-13-29/h2-6,8,16-17,26-28H,1,7,9-15,18,25H2
InChIKey: WVRJFVULANTNJW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCCCOc1ccc(cc1CNCCN2CCNCC2)c3ccc4[nH]ccc4c3
ACDLabs 10.04O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNCC4)CCCN
OpenEye OEToolkits 1.5.0c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CNCCN4CCNCC4)OCCCN
Name:N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE;
RBT550 INHIBITOR
ZINC: ZINC000022040670
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).