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BioLiP

PDB CCD ID: Y0H
Number of entries in BioLiP: 1
Chemical formula: C10 H10 Cl N3
InChI: InChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKey: ZSFCXTGPGSAWFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1c(cc(n1)c2ccc(cc2)Cl)N
ACDLabs 12.01Cn1nc(cc1N)c1ccc(Cl)cc1
CACTVS 3.385Cn1nc(cc1N)c2ccc(Cl)cc2
Name:3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-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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