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BioLiP

PDB CCD ID: MVZ
Number of entries in BioLiP: 3
Chemical formula: C12 H10 Br Cl N4
InChI: InChI=1S/C12H10BrClN4/c1-6-4-7(13)11(18-12-15-2-3-16-12)9-8(14)5-17-10(6)9/h2-5,17H,1H3,(H2,15,16,18)
InChIKey: NKEWJSANHAKFDR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13
OpenEye OEToolkits 2.0.7Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br
Name:5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine
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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