BioLiP

PDB

BioLiP

PDB CCD ID:

BFA

Number of entries in BioLiP:

Chemical formula:

C17 H17 Br N4 O

InChI:

InChI=1S/C17H17BrN4O/c1-22(2)10-9-19-17(23)11-5-3-7-13-15(11)21-16-12(18)6-4-8-14(16)20-13/h3-8H,9-10H2,1-2H3,(H,19,23)

InChIKey:

QCANCQNKYBFYAC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br
ACDLabs 10.04	O=C(NCCN(C)C)c2c1nc3c(nc1ccc2)cccc3Br
CACTVS 3.341	CN(C)CCNC(=O)c1cccc2nc3cccc(Br)c3nc12

Name:

9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE

ZINC:

ZINC000003871308

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).