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BioLiP

PDB CCD ID: JR2
Number of entries in BioLiP: 6
Chemical formula: C10 H13 N5
InChI: InChI=1S/C10H13N5/c11-10-13-8-7(3-4-12-8)9(14-10)15-5-1-2-6-15/h3-4H,1-2,5-6H2,(H3,11,12,13,14)
InChIKey: AZLCKCSXUACTMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c[nH]c2c1c(nc(n2)N)N3CCCC3
CACTVS 3.385Nc1nc2[nH]ccc2c(n1)N3CCCC3
ACDLabs 12.01n1c(nc(c2ccnc12)N3CCCC3)N
Name:4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
ChEMBL: CHEMBL3318486
ZINC: ZINC000205037570
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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