BioLiP

PDB

BioLiP

PDB CCD ID:

VUU

Number of entries in BioLiP:

Chemical formula:

C10 H15 N3 S

InChI:

InChI=1S/C10H15N3S/c11-10(13-8-3-4-8)12-6-5-9-2-1-7-14-9/h1-2,7-8H,3-6H2,(H3,11,12,13)

InChIKey:

SWJOFACUYCRNRC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N=C(NCCc1cccs1)NC1CC1
CACTVS 3.385	N=C(NCCc1sccc1)NC2CC2
OpenEye OEToolkits 2.0.7	[H]/N=C(\NCCc1cccs1)/NC2CC2
OpenEye OEToolkits 2.0.7	c1cc(sc1)CCNC(=N)NC2CC2

Name:

N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine

ZINC:

ZINC000052041332

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).