BioLiP

PDB

BioLiP

PDB CCD ID:

OHJ

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O

InChI:

InChI=1S/C8H14N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,11H,2-4,6H2,1H3,(H,9,10)

InChIKey:

UZKBZGAMRJRWLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCc1[nH]cc(n1)CO
CACTVS 3.385	CCCCc1[nH]cc(CO)n1
ACDLabs 12.01	C(c1cnc(CCCC)n1)O

Name:

(2-butyl-1H-imidazol-4-yl)methanol

ZINC:

ZINC000012956117

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).