BioLiP

PDB

BioLiP

PDB CCD ID:

DQ5

Number of entries in BioLiP:

Chemical formula:

C23 H26 N4 O2

InChI:

InChI=1S/C23H26N4O2/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)/b25-15+

InChIKey:

WBLSVMZKFSZDDW-MFKUBSTISA-N

SMILES:

Software	SMILES
CACTVS 3.385	O\N=C\c1nc(CCCCNc2c3CCCCc3nc4ccccc24)ccc1O
CACTVS 3.385	ON=Cc1nc(CCCCNc2c3CCCCc3nc4ccccc24)ccc1O
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)C=NO)O
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N/O)O

Name:

2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol

ChEMBL:

CHEMBL3234588

ZINC:

ZINC000169310262

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).