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BioLiP

PDB CCD ID: 50C
Number of entries in BioLiP: 1
Chemical formula: C10 H10 F N3
InChI: InChI=1S/C10H10FN3/c1-6-9(13-14-10(6)12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14)
InChIKey: SNBMBGHZPHKNIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c(ccc(c1c(C)c(N)nn1)c2)F
OpenEye OEToolkits 1.9.2Cc1c(n[nH]c1N)c2ccc(cc2)F
CACTVS 3.385Cc1c(N)[nH]nc1c2ccc(F)cc2
Name:3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine
ZINC: ZINC000013483597
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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