BioLiP

PDB

BioLiP

PDB CCD ID:

RFZ

Number of entries in BioLiP:

Chemical formula:

C12 H12 Cl2 N2 O4

InChI:

InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1

InChIKey:

XHSQDZXAVJRBMX-DDHJBXDOSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3cc(Cl)c(Cl)cc23
OpenEye OEToolkits 1.5.0	c1c2c(cc(c1Cl)Cl)n(cn2)C3C(C(C(O3)CO)O)O
OpenEye OEToolkits 1.5.0	c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CACTVS 3.341	OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(Cl)c(Cl)cc23
ACDLabs 10.04	Clc2cc1ncn(c1cc2Cl)C3OC(C(O)C3O)CO

Name:

5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole

ChEMBL:

CHEMBL375530

DrugBank:

DB08473

ZINC:

ZINC000003873418

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).