BioLiP

PDB

BioLiP

PDB CCD ID:

A1LV8

Number of entries in BioLiP:

Chemical formula:

C24 H25 N5 O

InChI:

InChI=1S/C24H25N5O/c1-3-17-5-8-23-27-24(17)21(4-1)28-12-9-18(10-13-28)25-11-2-14-30-19-6-7-20-22(15-19)29(23)16-26-20/h1,3-8,15-16,18,25H,2,9-14H2

InChIKey:

NUEIFXSLMFVCPQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2ccc-3nc2c(c1)N4CCC(CC4)NCCCOc5ccc6c(c5)n3cn6
CACTVS 3.385	C1CNC2CCN(CC2)c3cccc4ccc(nc34)n5cnc6ccc(OC1)cc56

Name:

RH140

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).