BioLiP

PDB

BioLiP

PDB CCD ID:

RKH

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3 O

InChI:

InChI=1S/C14H13N3O/c1-8-4-11-5-9(2-3-12(11)18-8)10-6-13(15)17-14(16)7-10/h2-7H,1H3,(H4,15,16,17)

InChIKey:

BMBIGEJCNXQYPN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N
CACTVS 3.385	Cc1oc2ccc(cc2c1)c3cc(N)nc(N)c3

Name:

4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine

ChEMBL:

CHEMBL5094822

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).