SEQ2FUN

BioLiP

PDB CCD ID: A1A92
Number of entries in BioLiP: 1
Chemical formula: C11 H14 N4 O
InChI: InChI=1S/C11H14N4O/c16-6-8-2-1-5-15(8)11-9-3-4-12-10(9)13-7-14-11/h3-4,7-8,16H,1-2,5-6H2,(H,12,13,14)/t8-/m0/s1
InChIKey: VOENIPBLZDNSJO-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1c[nH]c2c1c(ncn2)N3CCC[C@H]3CO
ACDLabs 14.52OCC1CCCN1c1ncnc2[NH]ccc12
CACTVS 3.385OC[CH]1CCCN1c2ncnc3[nH]ccc23
CACTVS 3.385OC[C@@H]1CCCN1c2ncnc3[nH]ccc23
OpenEye OEToolkits 3.1.0.0c1c[nH]c2c1c(ncn2)N3CCCC3CO
Name:[(2S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
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).