BioLiP

PDB

BioLiP

PDB CCD ID:

8LK

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O
CACTVS 3.385	CC1=CC2=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N=C2N1
CACTVS 3.385	CC1=CC2=CN([CH]3C[CH](O)[CH](CO)O3)C(=O)N=C2N1
OpenEye OEToolkits 2.0.7	CC1=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, 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).