BioLiP

PDB

BioLiP

PDB CCD ID:

EY2

Number of entries in BioLiP:

Chemical formula:

C16 H18 Br N2

InChI:

InChI=1S/C16H17BrN2/c1-3-19-15-7-4-11(10-18-2)8-14(15)13-6-5-12(17)9-16(13)19/h4-9,18H,3,10H2,1-2H3/p+1

InChIKey:

DQOAWXHGKIOTNR-UHFFFAOYSA-O

SMILES:

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

Name:

(7-bromanyl-9-ethyl-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).