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BioLiP

PDB CCD ID: 556
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 S
InChI: InChI=1S/C10H10N2S/c1-4-10-11-7-8(12(10)5-1)9-3-2-6-13-9/h2-3,6-7H,1,4-5H2
InChIKey: LYZIBEKPTIUDDV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1Cn2c(C1)ncc2c3sccc3
OpenEye OEToolkits 1.7.6c1cc(sc1)c2cnc3n2CCC3
ACDLabs 12.01n1cc(n2c1CCC2)c3sccc3
Name:3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
ZINC: ZINC000000388812
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).
  • 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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