BioLiP

PDB

BioLiP

PDB CCD ID:

A1ERZ

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O

InChI:

InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)/t6-/m0/s1

InChIKey:

XZHWEHOSQYNGOL-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@@H](c1[nH]c2ccccc2n1)O
CACTVS 3.385	C[C@H](O)c1[nH]c2ccccc2n1
CACTVS 3.385	C[CH](O)c1[nH]c2ccccc2n1
OpenEye OEToolkits 2.0.7	CC(c1[nH]c2ccccc2n1)O

Name:

(1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol

ChEMBL:

CHEMBL5179293

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).