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BioLiP

PDB CCD ID: VUU
Number of entries in BioLiP: 1
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:
SoftwareSMILES
ACDLabs 12.01N=C(NCCc1cccs1)NC1CC1
CACTVS 3.385N=C(NCCc1sccc1)NC2CC2
OpenEye OEToolkits 2.0.7[H]/N=C(\NCCc1cccs1)/NC2CC2
OpenEye OEToolkits 2.0.7c1cc(sc1)CCNC(=N)NC2CC2
Name:N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine
ZINC: ZINC000052041332
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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