SEQ2FUN

BioLiP

PDB CCD ID: UWY
Number of entries in BioLiP: 2
Chemical formula: C11 H17 N3 O
InChI: InChI=1S/C11H17N3O/c1-2-14-8-10(7-12-14)13-11(15)9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,15)
InChIKey: GXDSBWMCMQHCOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCn1cc(cn1)NC(=O)C2CCCC2
ACDLabs 12.01N(c1cnn(c1)CC)C(=O)C2CCCC2
CACTVS 3.385CCn1cc(NC(=O)C2CCCC2)cn1
Name:N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
ZINC: ZINC000058393643
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).