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BioLiP

PDB CCD ID: WZ7
Number of entries in BioLiP: 2
Chemical formula: C11 H13 N3 O
InChI: InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14)
InChIKey: NDEZMUYBKJXUGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnc(cc1C(=O)N)NC2CC=CC2
ACDLabs 12.01c2cnc(NC1CC=CC1)cc2C(=O)N
CACTVS 3.385NC(=O)c1ccnc(NC2CC=CC2)c1
Name:2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
ZINC: ZINC000095413916
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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