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BioLiP

PDB CCD ID: J84
Number of entries in BioLiP: 7
Chemical formula: C10 H7 Cl2 N7
InChI: InChI=1S/C10H7Cl2N7/c11-5-1-2-8(7(12)3-5)19-9(13)6(4-14-19)10-15-17-18-16-10/h1-4H,13H2,(H,15,16,17,18)
InChIKey: PZJPDMQBQCJCAX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N
CACTVS 3.385Nc1n(ncc1c2[nH]nnn2)c3ccc(Cl)cc3Cl
ACDLabs 12.01c1(nnnn1)c3cnn(c2ccc(cc2Cl)Cl)c3N
Name:1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine
ZINC: ZINC000000143018
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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