BioLiP

PDB

BioLiP

PDB CCD ID:

A1A6Q

Number of entries in BioLiP:

Chemical formula:

C10 H12 N4 O2

InChI:

InChI=1S/C10H12N4O2/c15-8-4-16-3-7(8)14-10-6-1-2-11-9(6)12-5-13-10/h1-2,5,7-8,15H,3-4H2,(H2,11,12,13,14)/t7-,8-/m0/s1

InChIKey:

IAFBRHXTGIBZNC-YUMQZZPRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H]1COC[C@@H]1Nc2ncnc3[nH]ccc23
OpenEye OEToolkits 3.1.0.0	c1c[nH]c2c1c(ncn2)NC3COCC3O
ACDLabs 14.52	OC1COCC1Nc1ncnc2[NH]ccc12
OpenEye OEToolkits 3.1.0.0	c1c[nH]c2c1c(ncn2)N[C@H]3COC[C@@H]3O
CACTVS 3.385	O[CH]1COC[CH]1Nc2ncnc3[nH]ccc23

Name:

(3R,4S)-4-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]oxolan-3-ol

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).