BioLiP

PDB

BioLiP

PDB CCD ID:

BRD

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O5

InChI:

InChI=1S/C10H16N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-2,6-9,13-15H,3-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1

InChIKey:

HBBIVXDEBCKFIZ-FNCVBFRFSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C1NCC=CCN1C1OC(CO)C(O)C1O
OpenEye OEToolkits 3.1.0.0	C1C=CCN(C(=O)N1)C2C(C(C(O2)CO)O)O
OpenEye OEToolkits 3.1.0.0	C1C=CCN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.385	OC[CH]1O[CH]([CH](O)[CH]1O)N2CC=CCNC2=O
CACTVS 3.385	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CC=CCNC2=O

Name:

1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE

ChEMBL:

CHEMBL3658871

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).