SEQ2FUN

BioLiP

PDB CCD ID: A1CDW
Number of entries in BioLiP: 8
Chemical formula: C11 H17 N4 O7 P
InChI: InChI=1S/C11H17N4O7P/c16-6-1-9(22-8(6)3-21-23(18,19)20)15-5-14-10-7(17)2-12-4-13-11(10)15/h4-9,16-17H,1-3H2,(H,12,13)(H2,18,19,20)/t6-,7+,8+,9+/m0/s1
InChIKey: NZYBWACXTRESTQ-JQCXWYLXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CNCC2O
ACDLabs 14.52O=P(O)(O)OCC1OC(CC1O)n1cnc2c1N=CNCC2O
OpenEye OEToolkits 3.1.0.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC[C@H]2O
CACTVS 3.385O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3[C@H](O)CNC=Nc23
CACTVS 3.385O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3[CH](O)CNC=Nc23
Name:pentostatin 5'-phosphate;
(8S)-3-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol;
2'-deoxycoformycin 5'-phosphate
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).