SEQ2FUN

BioLiP

PDB CCD ID: A1A70
Number of entries in BioLiP: 1
Chemical formula: C11 H14 N4 O2
InChI: InChI=1S/C11H14N4O2/c16-5-8-6-17-4-3-15(8)11-9-1-2-12-10(9)13-7-14-11/h1-2,7-8,16H,3-6H2,(H,12,13,14)/t8-/m1/s1
InChIKey: ANYULURWNRNDKY-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1c[nH]c2c1c(ncn2)N3CCOC[C@H]3CO
CACTVS 3.385OC[C@@H]1COCCN1c2ncnc3[nH]ccc23
ACDLabs 14.52OCC1COCCN1c1ncnc2[NH]ccc12
OpenEye OEToolkits 3.1.0.0c1c[nH]c2c1c(ncn2)N3CCOCC3CO
CACTVS 3.385OC[CH]1COCCN1c2ncnc3[nH]ccc23
Name:[(3R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-3-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).