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BioLiP

PDB CCD ID: JCE
Number of entries in BioLiP: 2
Chemical formula: C17 H15 N5
InChI: InChI=1S/C17H15N5/c18-17-10-15(20-21-17)13-5-4-12-6-8-22(16(12)9-13)11-14-3-1-2-7-19-14/h1-10H,11H2,(H3,18,20,21)
InChIKey: QCOOOKJAGFXTOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N
CACTVS 3.385Nc1cc([nH]n1)c2ccc3ccn(Cc4ccccn4)c3c2
Name:5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine
ChEMBL: CHEMBL4572807
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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