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BioLiP Library

PDB CCD ID: 8LK
Number of entries in BioLiP: 6
Chemical formula: C12 H15 N3 O4
InChI: InChI=1S/C12H15N3O4/c1-6-2-7-4-15(12(18)14-11(7)13-6)10-3-8(17)9(5-16)19-10/h2,4,8-10,16-17H,3,5H2,1H3,(H,13,14,18)/t8-,9+,10+/m0/s1
InChIKey: NMRPZKUERWKZCL-IVZWLZJFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O
CACTVS 3.385CC1=CC2=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N=C2N1
CACTVS 3.385CC1=CC2=CN([CH]3C[CH](O)[CH](CO)O3)C(=O)N=C2N1
OpenEye OEToolkits 2.0.7CC1=CC2=CN(C(=O)N=C2N1)C3CC(C(O3)CO)O
Name:Pyrrolo-dC;
3-[(2R,4S,5R)-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;
6-Methyl-3-(beta-D-2-deoxyribofuranosyl)pyrrolo[2,3-d]pyrimidin-2-one;
N-Pyrrolo-2'-deoxycytidine
ChEMBL: CHEMBL607859
ZINC: ZINC000043771835
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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