BioLiP

PDB

BioLiP

PDB CCD ID:

A1D7V

Number of entries in BioLiP:

Chemical formula:

C15 H18 N2 O

InChI:

InChI=1S/C15H18N2O/c1-11(2)3-4-12-5-6-14-13(7-8-17-18)10-16-15(14)9-12/h3,5-6,8-10,16,18H,4,7H2,1-2H3/b17-8-

InChIKey:

DBTCDTYONKJKNS-IUXPMGMMSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)=CCc1ccc2c(C\C=N/O)c[nH]c2c1
OpenEye OEToolkits 2.0.7	CC(=CCc1ccc2c(c1)[nH]cc2CC=NO)C
OpenEye OEToolkits 2.0.7	CC(=CCc1ccc2c(c1)[nH]cc2C/C=N\O)C
CACTVS 3.385	CC(C)=CCc1ccc2c(CC=NO)c[nH]c2c1

Name:

(~{N}~{Z})-~{N}-[2-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]ethylidene]hydroxylamine

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).