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BioLiP

PDB CCD ID: W4S
Number of entries in BioLiP: 1
Chemical formula: C7 H8 N4
InChI: InChI=1S/C7H8N4/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3,(H2,8,9,10)
InChIKey: KSOREMDAQHJJKY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cn2ccc1c(ncnc12)N
CACTVS 3.385Cn1ccc2c(N)ncnc12
OpenEye OEToolkits 2.0.7Cn1ccc2c1ncnc2N
Name:7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
ZINC: ZINC000001674697
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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