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BioLiP

PDB CCD ID: YXO
Number of entries in BioLiP: 1
Chemical formula: C9 H8 F2 N2
InChI: InChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-5-7(12)1-2-8(6)13/h1-5,9H,12H2
InChIKey: MTRDMFDHRBOAGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)n1ccc2cc(N)ccc21
CACTVS 3.385Nc1ccc2n(ccc2c1)C(F)F
OpenEye OEToolkits 2.0.7c1cc2c(ccn2C(F)F)cc1N
Name:1-(difluoromethyl)-1H-indol-5-amine
ZINC: ZINC000223661628
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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