BioLiP

PDB

BioLiP

PDB CCD ID:

613

Number of entries in BioLiP:

Chemical formula:

C11 H15 Cl N4

InChI:

InChI=1S/C11H15ClN4/c12-9-1-3-10(4-2-9)15-5-7-16(8-6-15)11(13)14/h1-4H,5-8H2,(H3,13,14)

InChIKey:

HYVSDWLVUBTZRD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	[H]/N=C(\N)/N1CCN(CC1)c2ccc(cc2)Cl
CACTVS 3.370	NC(=N)N1CCN(CC1)c2ccc(Cl)cc2
ACDLabs 12.01	Clc2ccc(N1CCN(C(=[N@H])N)CC1)cc2
OpenEye OEToolkits 1.7.2	c1cc(ccc1N2CCN(CC2)C(=N)N)Cl

Name:

4-(4-chlorophenyl)piperazine-1-carboximidamide

ChEMBL:

CHEMBL1215544

ZINC:

ZINC000003631917

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).