SEQ2FUN

BioLiP

PDB CCD ID: JIJ
Number of entries in BioLiP: 4
Chemical formula: C10 H12 N4
InChI: InChI=1S/C10H12N4/c1-2-6-14(5-1)10-8-3-4-11-9(8)12-7-13-10/h3-4,7H,1-2,5-6H2,(H,11,12,13)
InChIKey: IWEVZVZLDUSNNB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1cnc(c2cc[NH]c12)N1CCCC1
CACTVS 3.385C1CCN(C1)c2ncnc3[nH]ccc23
OpenEye OEToolkits 2.0.7c1c[nH]c2c1c(ncn2)N3CCCC3
Name:4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
ChEMBL: CHEMBL4645765
ZINC: ZINC000006505274
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).