BioLiP

PDB

BioLiP

PDB CCD ID:

4BZ

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O

InChI:

InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)

InChIKey:

WHMKAFNJMLEDSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]N=C(c1ccc(cc1)CO)N
ACDLabs 10.04	OCc1ccc(C(=[N@H])N)cc1
OpenEye OEToolkits 1.5.0	[H]/N=C(\c1ccc(cc1)CO)/N
CACTVS 3.341	NC(=N)c1ccc(CO)cc1

Name:

4-(HYDROXYMETHYL)BENZAMIDINE

ChEMBL:

CHEMBL184048

DrugBank:

DB02585

ZINC:

ZINC000006535656

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).