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BioLiP Library

PDB CCD ID: ARP
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N5 O
InChI: InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1
InChIKey: MJZYTEBKXLVLMY-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](O)Cn1cnc2c(N)ncnc12
CACTVS 3.341C[C@@H](O)Cn1cnc2c(N)ncnc12
OpenEye OEToolkits 1.5.0CC(Cn1cnc2c1ncnc2N)O
OpenEye OEToolkits 1.5.0C[C@H](Cn1cnc2c1ncnc2N)O
ACDLabs 10.04n1c(c2ncn(c2nc1)CC(O)C)N
Name:9-HYDROXYPROPYLADENINE, R-ISOMER
DrugBank: DB02765
ZINC: ZINC000002046906
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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