BioLiP

PDB

BioLiP

PDB CCD ID:

JMA

Number of entries in BioLiP:

Chemical formula:

C11 H12 Cl2 N2 O

InChI:

InChI=1S/C11H12Cl2N2O/c12-8-5-10-11(6-9(8)13)15(7-14-10)3-1-2-4-16/h5-7,16H,1-4H2

InChIKey:

FITCEBBVLDFPRJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCCCn1cnc2cc(Cl)c(Cl)cc12
ACDLabs 12.01	c1c(c(Cl)cc2n(CCCCO)cnc12)Cl
OpenEye OEToolkits 2.0.6	c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO

Name:

4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol

ZINC:

ZINC000004339088

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).