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BioLiP Library

PDB CCD ID: 6SN
Number of entries in BioLiP: 1
Chemical formula: C9 H7 Cl2 N3
InChI: InChI=1S/C9H7Cl2N3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
InChIKey: YKEDJVVQHWJYBR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cc([nH]n1)c2ccc(Cl)c(Cl)c2
OpenEye OEToolkits 2.0.5c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl
Name:5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine
ZINC: ZINC000001403937
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)(download the PDF file).
  • 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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