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BioLiP

PDB CCD ID: JKV
Number of entries in BioLiP: 0
Chemical formula: C9 H8 Cl N3
InChI: InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChIKey: XQPBZIITFQHIDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1[nH]nc(c1)c2ccc(Cl)cc2
OpenEye OEToolkits 2.0.6c1cc(ccc1c2cc([nH]n2)N)Cl
ACDLabs 12.01c1(Cl)ccc(cc1)c2cc(N)nn2
Name:3-(4-chlorophenyl)-1H-pyrazol-5-amine
ChEMBL: CHEMBL1778132
ZINC: ZINC000004674335
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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