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BioLiP Library

PDB CCD ID: 7WA
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N3
InChI: InChI=1S/C7H7N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,8H2,(H,9,10)
InChIKey: NZJKEQFPRPAEPO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccc2[nH]cnc12
ACDLabs 12.01c21c(cccc1N)ncn2
OpenEye OEToolkits 2.0.6c1cc(c2c(c1)[nH]cn2)N
Name:1H-benzimidazol-4-amine
ZINC: ZINC000000112552
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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