BioLiP

PDB

BioLiP

PDB CCD ID:

EXN

Number of entries in BioLiP:

Chemical formula:

C20 H21 N2 O

InChI:

InChI=1S/C20H20N2O/c1-3-22-18-9-6-14(13-21-2)11-17(18)16-8-7-15(12-19(16)22)20-5-4-10-23-20/h4-12,21H,3,13H2,1-2H3/p+1

InChIKey:

UTFNBBWDJPFLJT-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C
CACTVS 3.385	CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4occc4

Name:

[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-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).