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BioLiP

PDB CCD ID: C4E
Number of entries in BioLiP: 4
Chemical formula: C13 H11 N3
InChI: InChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-12-9-15-13-11(12)7-4-8-14-13/h1-9,16H,(H,14,15)
InChIKey: CQFGXDQUQWRXLE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)Nc2c[nH]c3c2cccn3
CACTVS 3.341[nH]1cc(Nc2ccccc2)c3cccnc13
ACDLabs 10.04n1cccc2c1ncc2Nc3ccccc3
Name:N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
ChEMBL: CHEMBL1231605
DrugBank: DB07524
ZINC: ZINC000024971313
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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