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BioLiP

PDB CCD ID: WOY
Number of entries in BioLiP: 3
Chemical formula: C6 H7 N3
InChI: InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9)
InChIKey: PANGDCFLXUDHDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1NCCc1cnc2
OpenEye OEToolkits 2.0.7c1c2c(ncn1)NCC2
CACTVS 3.385C1Cc2cncnc2N1
Name:6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
ZINC: ZINC000039053702
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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