BioLiP

PDB

BioLiP

PDB CCD ID:

QVY

Number of entries in BioLiP:

Chemical formula:

C15 H16 N2 O2

InChI:

InChI=1S/C15H16N2O2/c18-14-8-19-6-5-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1

InChIKey:

WENBZVXOQQBSHR-BPLDGKMQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)-c3cncn3C2C4CCOCC4O
CACTVS 3.385	O[CH]1COCC[CH]1[CH]2n3cncc3c4ccccc24
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O
ACDLabs 12.01	c23C(C1C(COCC1)O)n4c(c2cccc3)cnc4
CACTVS 3.385	O[C@@H]1COCC[C@H]1[C@@H]2n3cncc3c4ccccc24

Name:

1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol

ChEMBL:

CHEMBL4548068

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).