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BioLiP Library

PDB CCD ID: SCE
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N5
InChI: InChI=1S/C13H13N5/c1-10-8-17-13-12(15-6-7-18(10)13)16-9-11-2-4-14-5-3-11/h2-8H,9H2,1H3,(H,15,16)
InChIKey: LXRVAGIYXNQOKP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1cc(n2ccnc(c12)NCc3ccncc3)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cc1cnc2n1ccnc2NCc3ccncc3
Name:3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
DrugBank: DB08533
ZINC: ZINC000003820150
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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