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BioLiP

PDB CCD ID: SNU
Number of entries in BioLiP: 6
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,11H2
InChIKey: NHLHWHRXMZZWGA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccn(c1)c2ccc(cc2)N
CACTVS 3.370Nc1ccc(cc1)n2cccc2
ACDLabs 12.01c1(ccc(cc1)n2cccc2)N
Name:4-(1H-pyrrol-1-yl)aniline
ZINC: ZINC000000159039
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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