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BioLiP

PDB CCD ID: EY2
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C
CACTVS 3.385CCn1c2ccc(C[NH2+]C)cc2c3ccc(Br)cc13
Name:(7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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