BioLiP

PDB

BioLiP

PDB CCD ID:

IAZ

Number of entries in BioLiP:

Chemical formula:

C18 H15 N3 O2

InChI:

InChI=1S/C18H15N3O2/c1-2-5-13(6-3-1)23-14-8-9-16-17(11-14)21-18(20-16)19-12-15-7-4-10-22-15/h1-11H,12H2,(H2,19,20,21)

InChIKey:

KHBMCLOQYWKNDZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C(Nc1[nH]c2cc(Oc3ccccc3)ccc2n1)c4occc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2ccc3c(c2)[nH]c(n3)NCc4ccco4

Name:

~{N}-(furan-2-ylmethyl)-6-phenoxy-1~{H}-benzimidazol-2-amine

ChEMBL:

CHEMBL5173573

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).