BioLiP

PDB

BioLiP

PDB CCD ID:

UYW

Number of entries in BioLiP:

Chemical formula:

C15 H16 Cl N4 O

InChI:

InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/p+1/b19-9+

InChIKey:

QLZIJPLTRJOVDN-DJKKODMXSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)/C=N/NC(=[NH2+])N)OCc2ccc(cc2)Cl
CACTVS 3.385	NC(=[NH2+])NN=Cc1ccccc1OCc2ccc(Cl)cc2
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C=NNC(=[NH2+])N)OCc2ccc(cc2)Cl
CACTVS 3.385	NC(=[NH2+])N/N=C/c1ccccc1OCc2ccc(Cl)cc2

Name:

[azanyl-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium

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).